Geometry & MOs

Info

ID:	140020
PubChem CID:	52631938
Reduced:	SN3O4C25H35 (1)
Stoich.:	AB3C4D25E35 (1)
Weight, g/mol:	452.132527
ΔH_f, kcal/mol:	-163.21
Dipole, Da:	4.98
IP(EA), eV:	-9.58(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1=CC=CC(=C1)CNC(=O)[C@@H](CC(C)C)NS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations