Geometry & MOs

Info

ID:	284653
PubChem CID:	104057103
Reduced:	ClN2S2O4C12H15 (1)
Stoich.:	AB2C2D4E12F15 (1)
Weight, g/mol:	344.016846
ΔH_f, kcal/mol:	-137.33
Dipole, Da:	3.45
IP(EA), eV:	-9.05(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-[(1-methylpyrazol-4-yl)methylsulfamoyl]benzenecarbothioamide

Drug info:

PubChemData

Smile

CCOC(=O)CN(C)S(=O)(=O)C1=CC(=C(C=C1)C(=S)N)Cl

DOS

IR

Vibrations