Geometry & MOs

Info

ID:	11622
PubChem CID:	118228
Reduced:	NaS2N5O6H12C18 (1)
Stoich.:	AB2C5D6E12F18 (1)
Weight, g/mol:	481.01267
ΔH_f, kcal/mol:	-185.77
Dipole, Da:	7.38
IP(EA), eV:	-8.94(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;6-methyl-2-[4-[(2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonate

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4C(=O)NC(=O)NC4=O)S(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations