Geometry & MOs

Info

ID:

219942

PubChem CID:

85165070

Reduced:

O17C26H36 (1)

Stoich.:

A17B26C36 (1)

Weight, g/mol:

620.210506

ΔHf, kcal/mol:

-770.74

Dipole, Da:

8.66

IP(EA), eV:

 -10.29(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(OC(C(C2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations