Geometry & MOs

Info

ID:

172595

PubChem CID:

75528930

Reduced:

O7H10C14 (1)

Stoich.:

A7B10C14 (1)

Weight, g/mol:

722.387742

ΔHf, kcal/mol:

-222.44

Dipole, Da:

3.19

IP(EA), eV:

 -8.97(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,11,19-trihydroxy-4,5,9,9,13,19-hexamethyl-22-oxo-20-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracos-16-en-10-yl] acetate

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1O)OC3=C(C2=O)C=CC(=C3O)O)O

DOS

IR

Vibrations