Geometry & MOs

Info

ID:

15762

PubChem CID:

449708

Reduced:

FO2C20H29 (1)

Stoich.:

AB2C20D29 (1)

Weight, g/mol:

319.217692

ΔHf, kcal/mol:

-121.76

Dipole, Da:

5.58

IP(EA), eV:

 -8.84(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7R,8R,9S,10R,13S,14S,16S,17R)-16-(18F)fluoranyl-17-hydroxy-7,13,17-trimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4C[C@@H]([C@]([C@]4(CC3)C)(C)O)[18F]

DOS

IR

Vibrations