Geometry & MOs

Info

ID:	10501
PubChem CID:	103267
Reduced:	N3Na3S3O10H14C18 (1)
Stoich.:	A3B3C3D10E14F18 (1)
Weight, g/mol:	596.95344
ΔH_f, kcal/mol:	-441.13
Dipole, Da:	15.28
IP(EA), eV:	-9.0(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trisodium;7-[[3-methoxy-4-(sulfonatomethylamino)phenyl]diazenyl]naphthalene-1,3-disulfonate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NCS(=O)(=O)[O-].[Na+].[Na+].[Na+]

DOS

IR

Vibrations