Geometry & MOs

Info

ID:

10740

PubChem CID:

107560

Reduced:

FO6C24H29 (1)

Stoich.:

AB6C24D29 (1)

Weight, g/mol:

432.194817

ΔHf, kcal/mol:

-267.06

Dipole, Da:

6.18

IP(EA), eV:

 -10.08(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(1S,2S,8S,10S,11S,13R,14R,15S,17S)-8-fluoro-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)C)F

DOS

IR

Vibrations