Geometry & MOs

Info

ID:	140455
PubChem CID:	52700438
Reduced:	SO2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	446.16085
ΔH_f, kcal/mol:	10.19
Dipole, Da:	4.58
IP(EA), eV:	-8.51(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1)C2=CC=CC=C2NS(=O)(=O)C3=CC4=CC=CC=C4CC3

DOS

IR

Vibrations