Geometry & MOs

Info

ID:

13481

PubChem CID:

235859

Reduced:

FO3C22H29 (1)

Stoich.:

AB3C22D29 (1)

Weight, g/mol:

360.210073

ΔHf, kcal/mol:

-199.32

Dipole, Da:

9.29

IP(EA), eV:

 -9.69(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,9R,10S,13S,14S,16R,17S)-17-acetyl-9-fluoro-10,13,16-trimethyl-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,11-dione

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4([C@]3(C(=O)C[C@@]2([C@H]1C(=O)C)C)F)C

DOS

IR

Vibrations