Geometry & MOs

Info

ID:	284638
PubChem CID:	104056726
Reduced:	ClN2O2S2C12H17 (1)
Stoich.:	AB2C2D2E12F17 (1)
Weight, g/mol:	322.021262
ΔH_f, kcal/mol:	-67.0
Dipole, Da:	3.02
IP(EA), eV:	-9.02(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(1-methoxypropan-2-ylsulfamoyl)benzenecarbothioamide

Drug info:

PubChemData

Smile

CCCC(C)NS(=O)(=O)C1=C(C=C(C=C1)C(=S)N)Cl

DOS

IR

Vibrations