Geometry & MOs

Info

ID:	418196
PubChem CID:	135103798
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	367.178358
ΔH_f, kcal/mol:	-123.68
Dipole, Da:	4.57
IP(EA), eV:	-8.54(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CN2C=CC3=CC=CC=C32

DOS

IR

Vibrations