Geometry & MOs

Info

ID:

385819

PubChem CID:

134980065

Reduced:

O3C7H9 (2)

Stoich.:

A3B7C9 (2)

Weight, g/mol:

594.330778

ΔHf, kcal/mol:

-256.06

Dipole, Da:

1.41

IP(EA), eV:

 -9.65(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S)-6,6,7,7,8,8,8-heptafluorooct-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CC(=C[C@@H]([C@H]1OC(=O)C)OC(=O)C)C=C

DOS

IR

Vibrations