Geometry & MOs

Info

ID:	171528
PubChem CID:	75389589
Reduced:	BrSN2O3C13H17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	354.088557
ΔH_f, kcal/mol:	-82.33
Dipole, Da:	8.88
IP(EA), eV:	-9.7(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(2-cyanobutan-2-ylsulfamoyl)benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CCC(C)(C#N)NS(=O)(=O)C1=CC(=C(C=C1)OCC)Br

DOS

IR

Vibrations