Geometry & MOs

Info

ID:	238253
PubChem CID:	92729839
Reduced:	N3O4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	441.181919
ΔH_f, kcal/mol:	-146.09
Dipole, Da:	4.01
IP(EA), eV:	-9.14(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-[(3-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)[C@@H]1CCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3OC

DOS

IR

Vibrations