Geometry & MOs

Info

ID:

229820

PubChem CID:

87569229

Reduced:

F4O4C15H16 (1)

Stoich.:

A4B4C15D16 (1)

Weight, g/mol:

656.199251

ΔHf, kcal/mol:

-353.47

Dipole, Da:

5.63

IP(EA), eV:

 -9.27(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(10S,11S,13S,17R)-17-(cyanomethylsulfanylcarbonyl)-9-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-(4-cyano-3-hydroxyphenoxy)benzoate

Drug info:

PubChemData

Smile

C/C=C(/CC(C(=O)O)(C(F)(F)F)O)\C1=C(C(=C(C=C1)F)C)OC

DOS

IR

Vibrations