Geometry & MOs

Info

ID:	238249
PubChem CID:	92729835
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	485.1314
ΔH_f, kcal/mol:	-106.01
Dipole, Da:	7.44
IP(EA), eV:	-9.21(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-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=CC=C3

DOS

IR

Vibrations