Geometry & MOs

Info

ID:

5906

PubChem CID:

14002

Reduced:

FO6C28H39 (1)

Stoich.:

AB6C28D39 (1)

Weight, g/mol:

490.273067

ΔHf, kcal/mol:

-318.78

Dipole, Da:

5.56

IP(EA), eV:

 -9.91(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-butyl-9'-fluoro-11'-hydroxy-2-methoxy-10',13',16'-trimethylspiro[1,3-dioxane-4,17'-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene]-3',5-dione

Drug info:

PubChemData

Smile

CCCCC1(OCC(=O)C2(O1)C(CC3C2(CC(C4(C3CCC5=CC(=O)C=CC54C)F)O)C)C)OC

DOS

IR

Vibrations