Geometry & MOs

Info

ID:

168183

PubChem CID:

74933980

Reduced:

KLiNaS3N6O14C34H35 (1)

Stoich.:

ABCD3E6F14G34H35 (1)

Weight, g/mol:

701.05562

ΔHf, kcal/mol:

-566.62

Dipole, Da:

9.77

IP(EA), eV:

 -8.21(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[4-[2-(6-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid

Drug info:

PubChemData

Smile

[Li+].CC1=CC(=C(C=C1N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NN=C4C(=CC5=C(C4=O)C=CC(=C5)N)S(=O)(=O)[O-].C(CO)N(CCO)CCO.[Na+].[K+]

DOS

IR

Vibrations