Geometry & MOs

Info

ID:	327687
PubChem CID:	126690748
Reduced:	ClO7H19C24 (1)
Stoich.:	AB7C19D24 (1)
Weight, g/mol:	587.100343
ΔH_f, kcal/mol:	-222.56
Dipole, Da:	4.4
IP(EA), eV:	-9.22(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3'-(hydroxymethoxymethoxy)-6'-methoxy-6-(2,3,4,5,6-pentafluoroanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)CCl)C(=O)O3)C5=C(O2)C=C(C=C5)OCOCO

DOS

IR

Vibrations