Geometry & MOs

Info

ID:

9061

PubChem CID:

85707

Reduced:

O4C7H8 (4)

Stoich.:

A4B7C8 (4)

Weight, g/mol:

624.169035

ΔHf, kcal/mol:

-625.36

Dipole, Da:

4.13

IP(EA), eV:

 -8.6(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=O)C4=C(C(=C(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O)O

DOS

IR

Vibrations