Geometry & MOs

Info

ID:	278551
PubChem CID:	103836468
Reduced:	ClSN2O3C12H19 (1)
Stoich.:	ABC2D3E12F19 (1)
Weight, g/mol:	331.091201
ΔH_f, kcal/mol:	-120.42
Dipole, Da:	3.89
IP(EA), eV:	-10.23(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CCCC(CCO)CNS(=O)(=O)C1=CN=C(C=C1)Cl

DOS

IR

Vibrations