Geometry & MOs

Info

ID:	6663
PubChem CID:	69439
Reduced:	Cl4H4I4O5C20 (1)
Stoich.:	A4B4C4D5E20 (1)
Weight, g/mol:	973.4962
ΔH_f, kcal/mol:	-71.48
Dipole, Da:	5.3
IP(EA), eV:	-9.47(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one

Drug info:

PubChemData

Smile

C1=C2C(=C(C(=C1I)O)I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)O)I

DOS

IR

Vibrations