Geometry & MOs

Info

ID:	158269
PubChem CID:	56463261
Reduced:	BrNSO5C16H18 (1)
Stoich.:	ABCD5E16F18 (1)
Weight, g/mol:	402.02489
ΔH_f, kcal/mol:	-149.3
Dipole, Da:	3.84
IP(EA), eV:	-9.52(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-N-(2-ethylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC=C(O1)COC2=CC(=CC=C2)Br

DOS

IR

Vibrations