Geometry & MOs

Info

ID:

966

PubChem CID:

3594

Reduced:

O15C28H34 (1)

Stoich.:

A15B28C34 (1)

Weight, g/mol:

610.18977

ΔHf, kcal/mol:

-611.43

Dipole, Da:

5.24

IP(EA), eV:

 -8.98(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O

DOS

IR

Vibrations