Geometry & MOs

Info

ID:	250136
PubChem CID:	103094392
Reduced:	ClO2S2N3H12C13 (1)
Stoich.:	AB2C2D3E12F13 (1)
Weight, g/mol:	326.990297
ΔH_f, kcal/mol:	-16.99
Dipole, Da:	3.19
IP(EA), eV:	-8.85(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chloropyridin-2-yl)sulfamoyl]benzenecarbothioamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=S)N)S(=O)(=O)NC2=C(C=CC=N2)Cl

DOS

IR

Vibrations