Geometry & MOs

Info

ID:

11214

PubChem CID:

111933

Reduced:

Na2S2N6O9H24C28 (1)

Stoich.:

A2B2C6D9E24F28 (1)

Weight, g/mol:

698.084157

ΔHf, kcal/mol:

-222.75

Dipole, Da:

41.88

IP(EA), eV:

 -8.05(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;3-[[3-methoxy-4-[[2-methoxy-5-methyl-4-[(3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]benzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N=NC2=CC(=CC=C2)S(=O)(=O)[O-])OC)NC(=O)NC3=C(C=C(C=C3)N=NC4=CC(=CC=C4)S(=O)(=O)[O-])OC.[Na+].[Na+]

DOS

IR

Vibrations