Geometry & MOs

Info

ID:	8164
PubChem CID:	75194
Reduced:	NaI2O2H4C10 (2)
Stoich.:	AB2C2D4E10 (2)
Weight, g/mol:	865.6397
ΔH_f, kcal/mol:	-117.63
Dipole, Da:	13.24
IP(EA), eV:	-8.37(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;2-[(3,5-diiodo-4-oxidophenyl)-(3,5-diiodo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=C2C=C(C(=O)C(=C2)I)I)C3=CC(=C(C(=C3)I)[O-])I)C(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations