Geometry & MOs

Info

ID:	158379
PubChem CID:	56463541
Reduced:	NBr2S2O3C9H11 (1)
Stoich.:	AB2C2D3E9F11 (1)
Weight, g/mol:	412.166808
ΔH_f, kcal/mol:	-91.72
Dipole, Da:	2.55
IP(EA), eV:	-9.83(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC(=C(S1)Br)Br

DOS

IR

Vibrations