Geometry & MOs

Info

ID:	376840
PubChem CID:	134222869
Reduced:	O3C13H13 (2)
Stoich.:	A3B13C13 (2)
Weight, g/mol:	418.141638
ΔH_f, kcal/mol:	-197.01
Dipole, Da:	4.02
IP(EA), eV:	-8.96(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6'-[2-hydroxy-3-(oxiran-2-yl)propoxy]spiro[1H-2-benzofuran-3,9'-xanthene]-3'-ol

Drug info:

PubChemData

Smile

CCC(CC(COC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)O)C5=CC=CC=C5CO3)O)O

DOS

IR

Vibrations