Geometry & MOs

Info

ID:	719
PubChem CID:	3259
Reduced:	I4O5H8C20 (1)
Stoich.:	A4B5C8D20 (1)
Weight, g/mol:	835.6551
ΔH_f, kcal/mol:	-49.96
Dipole, Da:	5.44
IP(EA), eV:	-9.38(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)O)I)I)O)I

DOS

IR

Vibrations