Geometry & MOs

Info

ID:	245168
PubChem CID:	99437722
Reduced:	SN4O4C22H28 (1)
Stoich.:	AB4C4D22E28 (1)
Weight, g/mol:	490.177168
ΔH_f, kcal/mol:	-142.35
Dipole, Da:	5.13
IP(EA), eV:	-8.45(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[[4-[[2-[(4-chlorobenzoyl)amino]benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)CN3CCC[C@H](C3)C(=O)N

DOS

IR

Vibrations