Geometry & MOs

Info

ID:

411100

PubChem CID:

135083910

Reduced:

LiO3C23H33 (1)

Stoich.:

AB3C23D33 (1)

Weight, g/mol:

358.250795

ΔHf, kcal/mol:

-70.34

Dipole, Da:

30.71

IP(EA), eV:

 -4.82(-2.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1E)-1-[(10'R,13'S)-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-ylidene]ethanol

Drug info:

PubChemData

Smile

[Li+].C/C(=C\1/CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CCC5(C4)OCCO5)C)C)/[O-]

DOS

IR

Vibrations