Geometry & MOs

Info

ID:

11001

PubChem CID:

109783

Reduced:

Na2S2Cl3N5O7H14C22 (1)

Stoich.:

A2B2C3D5E7F14G22 (1)

Weight, g/mol:

674.919562

ΔHf, kcal/mol:

-243.9

Dipole, Da:

4.78

IP(EA), eV:

 -8.6(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;3-[(2,5-dimethyl-4-sulfonatophenyl)diazenyl]-4-hydroxy-7-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2-sulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)[O-])C)N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=C(C(=NC(=N4)Cl)Cl)Cl)S(=O)(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations