Geometry & MOs

Info

ID:

7156

PubChem CID:

71414

Reduced:

F2O7C26H32 (1)

Stoich.:

A2B7C26D32 (1)

Weight, g/mol:

494.21161

ΔHf, kcal/mol:

-395.34

Dipole, Da:

4.01

IP(EA), eV:

 -10.05(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyloxy-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)OC(=O)C)C)O)F)C)F

DOS

IR

Vibrations