Geometry & MOs

Info

ID:

459

PubChem CID:

2791

Reduced:

ClFO5C25H32 (1)

Stoich.:

ABC5D25E32 (1)

Weight, g/mol:

466.19223

ΔHf, kcal/mol:

-271.56

Dipole, Da:

9.19

IP(EA), eV:

 -9.72(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate

Drug info:

PubChemData

Smile

CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CCl

DOS

IR

Vibrations