Geometry & MOs

Info

ID:	8165
PubChem CID:	75195
Reduced:	I2O2H5C10 (2)
Stoich.:	A2B2C5D10 (2)
Weight, g/mol:	821.6758
ΔH_f, kcal/mol:	4.54
Dipole, Da:	9.55
IP(EA), eV:	-9.56(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-diiodo-4-oxocyclohexa-2,5-dien-1-ylidene)-(4-hydroxy-3,5-diiodophenyl)methyl]benzoic acid

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

DOS

IR

Vibrations