Geometry & MOs

Info

ID:	11205
PubChem CID:	111822
Reduced:	SN2O3C10H13 (2)
Stoich.:	AB2C3D10E13 (2)
Weight, g/mol:	482.129377
ΔH_f, kcal/mol:	-130.37
Dipole, Da:	8.45
IP(EA), eV:	-8.34(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-ethyl-4-[(5-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethanol;methyl sulfate

Drug info:

PubChemData

Smile

CCN(CCO)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=CC(=C3)OC)C.COS(=O)(=O)[O-]

DOS

IR

Vibrations