Geometry & MOs

Info

ID:	12823
PubChem CID:	146285
Reduced:	S2N6O6H18C19 (1)
Stoich.:	A2B6C6D18E19 (1)
Weight, g/mol:	490.072925
ΔH_f, kcal/mol:	-99.1
Dipole, Da:	8.54
IP(EA), eV:	-8.79(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2,4-diamino-5-methyl-3-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1N)N=NC2=CC=C(C=C2)S(=O)(=O)O)N)N=NC3=CC=C(C=C3)S(=O)(=O)O

DOS

IR

Vibrations