Geometry & MOs

Info

ID:

15982

PubChem CID:

457198

Reduced:

Na3S4N5O12H22C33 (1)

Stoich.:

A3B4C5D12E22F33 (1)

Weight, g/mol:

876.984089

ΔHf, kcal/mol:

-271.63

Dipole, Da:

74.95

IP(EA), eV:

 -7.42(-2.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

trisodium;7-[[4-[[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]sulfonylamino]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])O)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

DOS

IR

Vibrations