Geometry & MOs

Info

ID:	172594
PubChem CID:	75528925
Reduced:	O17C29H46 (1)
Stoich.:	A17B29C46 (1)
Weight, g/mol:	290.042653
ΔH_f, kcal/mol:	-777.06
Dipole, Da:	9.09
IP(EA), eV:	-10.44(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5,6-tetrahydroxy-2-methoxyxanthen-9-one

Drug info:

PubChemData

Smile

C/C(=C\CCC(C)(C=C)OC1C(C(C(C(O1)COC(=O)CC(C)(CC(=O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)/C(=O)OC

DOS

IR

Vibrations