Geometry & MOs

Info

ID:	14172
PubChem CID:	405765
Reduced:	Cl4O7H8C20 (1)
Stoich.:	A4B7C8D20 (1)
Weight, g/mol:	501.899463
ΔH_f, kcal/mol:	-214.28
Dipole, Da:	4.97
IP(EA), eV:	-9.09(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C3(C4=C(O2)C(=C(C=C4)O)O)C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O3)O)O

DOS

IR

Vibrations