Geometry & MOs

Info

ID:	284647
PubChem CID:	104057034
Reduced:	ClN2O2S2C14H19 (1)
Stoich.:	AB2C2D2E14F19 (1)
Weight, g/mol:	334.057648
ΔH_f, kcal/mol:	-66.27
Dipole, Da:	2.42
IP(EA), eV:	-9.01(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[methyl(3-methylbutyl)sulfamoyl]benzenecarbothioamide

Drug info:

PubChemData

Smile

CCC1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C(=S)N)Cl

DOS

IR

Vibrations