Geometry & MOs

Info

ID:	16006
PubChem CID:	457670
Reduced:	O11C20H20 (1)
Stoich.:	A11B20C20 (1)
Weight, g/mol:	436.100561
ΔH_f, kcal/mol:	-399.53
Dipole, Da:	6.04
IP(EA), eV:	-8.32(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,9-dihydroxy-6-methoxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=C4C(=O)C=CC(=C4O2)O)O

DOS

IR

Vibrations