Geometry & MOs

Info

ID:

8666

PubChem CID:

80119

Reduced:

NNaSO5H7C14 (2)

Stoich.:

ABCD5E7F14 (2)

Weight, g/mol:

647.988526

ΔHf, kcal/mol:

-410.26

Dipole, Da:

3.89

IP(EA), eV:

 -9.09(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;1-amino-4-(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)-9,10-dioxoanthracene-2-sulfonate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3C4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

DOS

IR

Vibrations