Geometry & MOs

Info

ID:	161108
PubChem CID:	57390791
Reduced:	SN2O5H18C23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	329.087922
ΔH_f, kcal/mol:	-35.6
Dipole, Da:	3.76
IP(EA), eV:	-8.95(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(E)-2-(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations