Geometry & MOs

Info

ID:

145148

PubChem CID:

53470921

Reduced:

ClNaS2O3N4H20C23 (1)

Stoich.:

ABC2D3E4F20G23 (1)

Weight, g/mol:

754.941569

ΔHf, kcal/mol:

-42.55

Dipole, Da:

5.17

IP(EA), eV:

 -8.27(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

azanium;trisodium;(8E)-7-oxo-8-[[4-[(3-phosphonatophenyl)diazenyl]-2-sulfonatophenyl]hydrazinylidene]-3-sulfonaphthalene-1-sulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NCCCC2=CC=CC=C2Cl)N=NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations