Geometry & MOs

Info

ID:	238250
PubChem CID:	92729836
Reduced:	BrN3O3C24H28 (1)
Stoich.:	AB3C3D24E28 (1)
Weight, g/mol:	485.1314
ΔH_f, kcal/mol:	-102.2
Dipole, Da:	2.07
IP(EA), eV:	-9.2(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[4-[(4-bromobenzoyl)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=C(C=C3)Br

DOS

IR

Vibrations