Geometry & MOs

Info

ID:	15879
PubChem CID:	454263
Reduced:	N2S3O10H12C16 (1)
Stoich.:	A2B3C10D12E16 (1)
Weight, g/mol:	487.965408
ΔH_f, kcal/mol:	-299.36
Dipole, Da:	3.24
IP(EA), eV:	-9.73(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-8-[(3-sulfophenyl)diazenyl]naphthalene-1,3-disulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)O)N=NC2=C(C=CC3=CC(=CC(=C32)S(=O)(=O)O)S(=O)(=O)O)O

DOS

IR

Vibrations