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ChemistryFunctions

Guides

  • Wolfram Chemistry Functions

Symbols

  • AlkaneName
  • AlkaneQ
  • AtomChirality
  • AtomSelector3D
  • AtomSelector
  • BohrModelPlot
  • BondStereo
  • ChemicalFormulaQ
  • ChemicalReactionQ
  • ConstitutionalIsomersQ
  • DiastereomersQ
  • EmbeddedMoleculeQ
  • EmpiricalFormula
  • EmptyMoleculeQ
  • EnantiomersQ
  • EpimersQ
  • FormatMoleculesAsGraphics
  • HydrocarbonQ
  • ImportComputationalChemistryData
  • IonCounts
  • MoleculeDelete
  • MoleculeGridPlot3D
  • MoleculeGridPlot
  • MoleculeJoin
  • MoleculeManipulate3D
  • MoleculeManipulate
  • MoleculeMirrorPlot3D
  • MoleculePatternQ
  • MoleculePlotOptions
  • MoleculeScaffold
  • MoleculeSubstructureMatches
  • PatternReactionQ
  • PeriodicTablePlot
  • RandomAlkane
  • RandomMolecule
  • RingMoleculeQ
  • RingPattern
  • SmilesPlot
  • StereoisomersQ
WolframChemistry`ChemistryFunctions`
BondStereo
​
BondStereo
[mol,bond]
returns the the absolute configuration about the given
bond
.
​
​
BondStereo
[mol]
returns an
Association
containing the absolute configuration for all stereo bonds in the given molecule.
​
Details and Options

Examples  
(3)
Basic Examples  
(3)
Find the stereo for a specified bond:
In[1]:=
BondStereo
[Molecule["cis-3-hexene"],{3,4}]
Out[1]=
Z
Look at the same molecule with no stereo specified:
In[2]:=
BondStereo
[Molecule["3-hexene"],{3,4}]
Out[2]=
Unspecified
​
Find the stereo for all bonds in a molecule:
In[1]:=
BondStereo
Molecule
Formula:
C
20
H
32
O
3
Atoms:
55
Bonds:
54

Out[1]=
{6,7}Z,{9,10}Z,{11,12}Z,{16,17}E
​
Find the bond stereo for a chemical entity:
In[1]:=
BondStereo
@
geranylamine
CHEMICAL
Out[1]=
{4,6}E
SeeAlso
Molecule
 
▪
MoleculeValue
 
▪
AtomChirality
RelatedGuides
▪
Wolfram Chemistry Functions
""

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