Geometry & MOs

Info

ID:	167994
PubChem CID:	74910437
Reduced:	ClN2O2S3C18H19 (1)
Stoich.:	AB2C2D3E18F19 (1)
Weight, g/mol:	417.97049
ΔH_f, kcal/mol:	-9.6
Dipole, Da:	3.52
IP(EA), eV:	-8.62(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CCCCC1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=C(S3)Cl)S2)CC=C

DOS

IR

Vibrations