Geometry & MOs

Info

ID:

808

PubChem CID:

3382

Reduced:

F2O7C26H32 (1)

Stoich.:

A2B7C26D32 (1)

Weight, g/mol:

494.21161

ΔHf, kcal/mol:

-401.98

Dipole, Da:

8.13

IP(EA), eV:

 -9.94(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl)-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CC(C5=CC(=O)C=CC54C)F)F)O)C)OC(O2)(C)C

DOS

IR

Vibrations