Geometry & MOs

Info

ID:

388813

PubChem CID:

134990303

Reduced:

Si2F3O5C30H49 (1)

Stoich.:

A2B3C5D30E49 (1)

Weight, g/mol:

386.209324

ΔHf, kcal/mol:

-498.68

Dipole, Da:

4.99

IP(EA), eV:

 -8.93(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[(8S,9S,10R,13S,14S)-10,13-dimethyl-11-oxospiro[1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ylidene]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]2[C@@H]([C@H]1CC(O2)O)/C=C/[C@H](COC3=CC=CC(=C3)C(F)(F)F)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations