Geometry & MOs

Info

ID:	61496
PubChem CID:	26709960
Reduced:	BrN2S2O4H17C19 (1)
Stoich.:	AB2C2D4E17F19 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-74.45
Dipole, Da:	0.81
IP(EA), eV:	-8.29(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(4-ethylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations