Geometry & MOs

Info

ID:	284641
PubChem CID:	104056981
Reduced:	ClN2S2O3C12H15 (1)
Stoich.:	AB2C2D3E12F15 (1)
Weight, g/mol:	320.041998
ΔH_f, kcal/mol:	-95.25
Dipole, Da:	2.86
IP(EA), eV:	-9.04(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(2,2-dimethylpropylsulfamoyl)benzenecarbothioamide

Drug info:

PubChemData

Smile

C1COCCC1NS(=O)(=O)C2=CC(=C(C=C2)C(=S)N)Cl

DOS

IR

Vibrations