Geometry & MOs

Info

ID:

409705

PubChem CID:

135082488

Reduced:

FN2C13H15 (1)

Stoich.:

AB2C13D15 (1)

Weight, g/mol:

478.253081

ΔHf, kcal/mol:

-21.38

Dipole, Da:

1.64

IP(EA), eV:

 -8.41(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(6S,8S,9R,10S,11S,13R,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetyl] pentanoate

Drug info:

PubChemData

Smile

C1CNCC([C@H]1F)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations