Geometry & MOs

Info

ID:	158190
PubChem CID:	56463132
Reduced:	BrNSO4C16H18 (1)
Stoich.:	ABCD4E16F18 (1)
Weight, g/mol:	414.146072
ΔH_f, kcal/mol:	-131.05
Dipole, Da:	4.02
IP(EA), eV:	-9.06(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)COC1=CC2=C(C=C1)C=C(C=C2)Br

DOS

IR

Vibrations