Geometry & MOs

Info

ID:

599

PubChem CID:

3056

Reduced:

F2O7C26H32 (1)

Stoich.:

A2B7C26D32 (1)

Weight, g/mol:

494.21161

ΔHf, kcal/mol:

-401.81

Dipole, Da:

12.34

IP(EA), eV:

 -9.68(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(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

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)OC(=O)C)C)O)F)C)F

DOS

IR

Vibrations