Geometry & MOs

Info

ID:	11623
PubChem CID:	118229
Reduced:	S2N5O6H13C18 (1)
Stoich.:	A2B5C6D13E18 (1)
Weight, g/mol:	459.030726
ΔH_f, kcal/mol:	-131.75
Dipole, Da:	4.04
IP(EA), eV:	-9.4(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

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

DOS

IR

Vibrations