Geometry & MOs

Info

ID:

7150

PubChem CID:

71387

Reduced:

ClFO4C22H26 (1)

Stoich.:

ABC4D22E26 (1)

Weight, g/mol:

408.150365

ΔHf, kcal/mol:

-218.24

Dipole, Da:

8.08

IP(EA), eV:

 -9.86(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,9R,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-17-hydroxy-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3,11-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations