Geometry & MOs

Info

ID:

149800

PubChem CID:

53789477

Reduced:

SF5C14H19 (1)

Stoich.:

AB5C14D19 (1)

Weight, g/mol:

642.224142

ΔHf, kcal/mol:

-254.81

Dipole, Da:

6.97

IP(EA), eV:

 -10.24(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-10,13,16-trimethyl-3-oxo-17-propanoyloxy-17-(2-propanoyloxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-11-yl]oxy-hydroxyphosphoryl]oxyacetic acid

Drug info:

PubChemData

Smile

CCC1CCC(CC1)C2=CC=C(C=C2)S(F)(F)(F)(F)F

DOS

IR

Vibrations