Geometry & MOs

Info

ID:	123221
PubChem CID:	50838029
Reduced:	SN4O4H20C21 (1)
Stoich.:	AB4C4D20E21 (1)
Weight, g/mol:	415.05315
ΔH_f, kcal/mol:	-102.06
Dipole, Da:	3.63
IP(EA), eV:	-8.58(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-acetamidophenyl)-N-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC

DOS

IR

Vibrations