Geometry & MOs

Info

ID:

191548

PubChem CID:

78162822

Reduced:

FSiO9C35H47 (1)

Stoich.:

ABC9D35E47 (1)

Weight, g/mol:

668.209147

ΔHf, kcal/mol:

-419.55

Dipole, Da:

1.87

IP(EA), eV:

 -9.31(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-acetyloxy-15-(benzenesulfonyloxy)-9-fluoro-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadeca-12,15-dien-2-yl] benzoate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC1CC2C(CO2)(C3C1(C(=O)CC4=C(C(=O)C(C(C3OC(=O)C5=CC=CC=C5)(C4(C)C)O)F)C)C)OC(=O)C

DOS

IR

Vibrations