Geometry & MOs

Info

ID:	8810
PubChem CID:	81796
Reduced:	ClN2O2S3H9C13 (1)
Stoich.:	AB2C2D3E9F13 (1)
Weight, g/mol:	355.951469
ΔH_f, kcal/mol:	-2.48
Dipole, Da:	5.27
IP(EA), eV:	-8.9(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-sulfanyl-1,3-benzothiazole-5-sulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)SC(=N3)S)Cl

DOS

IR

Vibrations