Geometry & MOs

Info

ID:

179008

PubChem CID:

76419119

Reduced:

O2N3C18H21 (1)

Stoich.:

A2B3C18D21 (1)

Weight, g/mol:

905.04438

ΔHf, kcal/mol:

10.8

Dipole, Da:

4.97

IP(EA), eV:

 -7.92(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

trisodium;4-amino-3-[[4-[4-[(1-ethoxy-1,3-dioxobutan-2-yl)diazenyl]phenyl]phenyl]diazenyl]-5-oxo-6-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate

Drug info:

PubChemData

Smile

CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)NCCO

DOS

IR

Vibrations