Geometry & MOs

Info

ID:	238237
PubChem CID:	92729823
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-116.63
Dipole, Da:	6.9
IP(EA), eV:	-9.18(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCC[C@@H]3C(=O)NCCC(C)C

DOS

IR

Vibrations