Geometry & MOs

Info

ID:	220374
PubChem CID:	85182223
Reduced:	NO6C27H31 (1)
Stoich.:	AB6C27D31 (1)
Weight, g/mol:	466.111126
ΔH_f, kcal/mol:	-168.97
Dipole, Da:	3.13
IP(EA), eV:	-9.36(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1CC2C(CC(ON2O1)OC3CCCCC3C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations