Geometry & MOs

Info

ID:

218722

PubChem CID:

85089865

Reduced:

F3O6C26H35 (1)

Stoich.:

A3B6C26D35 (1)

Weight, g/mol:

500.241018

ΔHf, kcal/mol:

-434.75

Dipole, Da:

3.15

IP(EA), eV:

 -9.71(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-12,15-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-ene-3,6-dione

Drug info:

PubChemData

Smile

CC(C)OC(=O)CCCC=CCC1C(CC(C1CCC(=O)COC2=CC=CC(=C2)C(F)(F)F)O)O

DOS

IR

Vibrations