Geometry & MOs

Info

ID:

168495

PubChem CID:

74977622

Reduced:

O14H28C31 (1)

Stoich.:

A14B28C31 (1)

Weight, g/mol:

794.190558

ΔHf, kcal/mol:

-495.09

Dipole, Da:

7.35

IP(EA), eV:

 -8.89(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-acetyloxy-6-[4,5-diacetyloxy-6-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O

DOS

IR

Vibrations