Geometry & MOs

Info

ID:

15764

PubChem CID:

449715

Reduced:

FO2C20H23 (1)

Stoich.:

AB2C20D23 (1)

Weight, g/mol:

313.170742

ΔHf, kcal/mol:

-18.13

Dipole, Da:

1.07

IP(EA), eV:

 -8.81(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8R,9S,13S,14S,16R,17S)-17-ethynyl-16-(18F)fluoranyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@]2(C#C)O)[18F])CCC4=C3C=CC(=C4)O

DOS

IR

Vibrations