Geometry & MOs

Info

ID:

3363

PubChem CID:

9563

Reduced:

FO6C23H29 (1)

Stoich.:

AB6C23D29 (1)

Weight, g/mol:

420.194817

ΔHf, kcal/mol:

-302.63

Dipole, Da:

6.68

IP(EA), eV:

 -9.67(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)C1(CCC2C1(C[C@@H]([C@]3(C2CCC4=CC(=O)C=CC43C)F)O)C)O

DOS

IR

Vibrations