Geometry & MOs

Info

ID:

127104

PubChem CID:

50990654

Reduced:

ON2F3C9H9 (1)

Stoich.:

AB2C3D9E9 (1)

Weight, g/mol:

494.215197

ΔHf, kcal/mol:

-161.65

Dipole, Da:

3.69

IP(EA), eV:

 -9.38(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,4R,5R,6R,8R,11R,13S,17S,18S)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (2S)-2-hydroxy-2-methylbutanoate

Drug info:

PubChemData

Smile

C1C(CN1C2=NC=C(C=C2)C(F)(F)F)O

DOS

IR

Vibrations