Geometry & MOs

Info

ID:

219194

PubChem CID:

85091428

Reduced:

F3O12C34H49 (1)

Stoich.:

A3B12C34D49 (1)

Weight, g/mol:

706.278437

ΔHf, kcal/mol:

-713.47

Dipole, Da:

7.6

IP(EA), eV:

 -10.22(0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[tert-butyl(diphenyl)silyl]oxy-2-(2,3-dihydrofuran-5-yl)-1-[2-(4-methoxyphenoxy)ethenyl]-3-methyl-3-phenylsulfanyl-7-oxabicyclo[2.2.1]heptan-2-ol

Drug info:

PubChemData

Smile

CC1C(C2C(C(O1)OC3CC4C5(COC(O4)(C)C(F)(F)F)C6CCC7(C(CCC7(C6CCC5(C3)O)O)C8CCOC8=O)O)OC(O2)(C)C)O

DOS

IR

Vibrations