Geometry & MOs

Info

ID:	238035
PubChem CID:	92728900
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	475.166269
ΔH_f, kcal/mol:	-114.21
Dipole, Da:	6.56
IP(EA), eV:	-9.09(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-benzyl-1-[4-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)N2CCC[C@@H](C2)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations