Geometry & MOs

Info

ID:

8780

PubChem CID:

81383

Reduced:

Na2S2N6O7H24C31 (1)

Stoich.:

A2B2C6D7E24F31 (1)

Weight, g/mol:

702.094328

ΔHf, kcal/mol:

-179.08

Dipole, Da:

7.58

IP(EA), eV:

 -8.42(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;7-[[4-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)N)N=NC3=CC(=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+]

DOS

IR

Vibrations