Geometry & MOs

Info

ID:

160124

PubChem CID:

57304814

Reduced:

OH6C8 (3)

Stoich.:

AB6C8 (3)

Weight, g/mol:

498.205381

ΔHf, kcal/mol:

-47.75

Dipole, Da:

4.09

IP(EA), eV:

 -8.98(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(8S,9S,10R,13S,14S,17R)-1-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-hydroxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CC(=O)OC(=O)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations