Geometry & MOs

Info

ID:	278498
PubChem CID:	103836310
Reduced:	NOSC7H10 (2)
Stoich.:	ABCD7E10 (2)
Weight, g/mol:	282.067428
ΔH_f, kcal/mol:	-40.05
Dipole, Da:	5.83
IP(EA), eV:	-8.5(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-cyanopropylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CCC(CC)(CNS(=O)(=O)C1=CC=CC=C1C#N)SC

DOS

IR

Vibrations