Geometry & MOs

Info

ID:	32302
PubChem CID:	6436415
Reduced:	NO4C7H7 (1)
Stoich.:	AB4C7D7 (1)
Weight, g/mol:	393.066238
ΔH_f, kcal/mol:	-123.73
Dipole, Da:	5.1
IP(EA), eV:	-11.36(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(COC(=O)/C=C\C(=O)O)C#N

DOS

IR

Vibrations