Geometry & MOs

Info

ID:

1689

PubChem CID:

4880

Reduced:

PS2N3Na4H10O12C14 (1)

Stoich.:

AB2C3D4E10F12G14 (1)

Weight, g/mol:

598.903429

ΔHf, kcal/mol:

-744.27

Dipole, Da:

15.87

IP(EA), eV:

 -9.14(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tetrasodium;4-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonatooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])COP(=O)([O-])[O-])C=O)O.[Na+].[Na+].[Na+].[Na+]

DOS

IR

Vibrations