Geometry & MOs

Info

ID:	156449
PubChem CID:	56370671
Reduced:	SCl2N3O3H13C17 (1)
Stoich.:	AB2C3D3E13F17 (1)
Weight, g/mol:	478.05619
ΔH_f, kcal/mol:	-50.85
Dipole, Da:	7.32
IP(EA), eV:	-9.16(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfonyl-2-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=CC(=C(C=C2)N3C=CN=C3)Cl

DOS

IR

Vibrations