Geometry & MOs

Info

ID:	167993
PubChem CID:	74910436
Reduced:	ClN2S3O4C19H21 (1)
Stoich.:	AB2C3D4E19F21 (1)
Weight, g/mol:	426.029719
ΔH_f, kcal/mol:	-118.82
Dipole, Da:	6.58
IP(EA), eV:	-8.72(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-butyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-chlorothiophene-2-sulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations