Geometry & MOs

Info

ID:	32303
PubChem CID:	6436418
Reduced:	ClSO3N5C16H16 (1)
Stoich.:	ABC3D5E16F16 (1)
Weight, g/mol:	358.097386
ΔH_f, kcal/mol:	78.3
Dipole, Da:	7.4
IP(EA), eV:	-8.42(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(E)-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methyl-4-nitroaniline

Drug info:

PubChemData

Smile

C[N+]1=C(SC2=C1C=CC(=C2)OC)/N=N/N(C)C3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

DOS

IR

Vibrations