Geometry & MOs

Info

ID:	238252
PubChem CID:	92729838
Reduced:	N3O4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	437.231456
ΔH_f, kcal/mol:	-147.16
Dipole, Da:	5.85
IP(EA), eV:	-9.27(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-[(2-methoxybenzoyl)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