Geometry & MOs

Info

ID:	417488
PubChem CID:	135095436
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	313.098394
ΔH_f, kcal/mol:	-124.21
Dipole, Da:	2.27
IP(EA), eV:	-8.88(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(2,5-dimethylphenyl)sulfonyl-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC(=O)N(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2)C

DOS

IR

Vibrations