Geometry & MOs

Info

ID:

305340

PubChem CID:

124768015

Reduced:

NF6O7C19H21 (1)

Stoich.:

AB6C7D19E21 (1)

Weight, g/mol:

402.27701

ΔHf, kcal/mol:

-607.36

Dipole, Da:

5.35

IP(EA), eV:

-9.54(-0.2)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(3'R,5'S,8'S,9'R,10'S,13'S,14'R)-3'-ethenyl-10',13'-dimethylspiro[1,3-dioxolane-2,17'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-3'-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1C([C@H]([C@@](N[C@]1(C(F)(F)F)O)(C(F)(F)F)O)C(=O)OCC)C2=CC=CC=C2O

DOS

IR

Vibrations