Geometry & MOs

Info

ID:

17064

PubChem CID:

483001

Reduced:

S2N6O13H32C39 (1)

Stoich.:

A2B6C13D32E39 (1)

Weight, g/mol:

856.146877

ΔHf, kcal/mol:

-333.09

Dipole, Da:

4.92

IP(EA), eV:

 -8.98(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2-ethoxycarbonylphenyl)diazenyl]-7-[[6-[(2-ethoxycarbonylphenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]carbamoylamino]-4-hydroxynaphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=CC=C6C(=O)OCC)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations