Geometry & MOs

Info

ID:	420468
PubChem CID:	135113289
Reduced:	NSO6C18H27 (1)
Stoich.:	ABC6D18E27 (1)
Weight, g/mol:	363.0952
ΔH_f, kcal/mol:	-265.91
Dipole, Da:	6.56
IP(EA), eV:	-9.35(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxy-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)S(=O)(=O)C2=C(C=CC(=C2)C)OCC)C(=O)O

DOS

IR

Vibrations