Geometry & MOs

Info

ID:

442068

PubChem CID:

135249023

Reduced:

O2F3H19C22 (2)

Stoich.:

A2B3C19D22 (2)

Weight, g/mol:

796.3715

ΔHf, kcal/mol:

-321.83

Dipole, Da:

1.66

IP(EA), eV:

 -8.16(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,3,4,4,5,5-hexafluoro-16,16-bis(4-octylphenyl)-14,18-dioxahexacyclo[15.7.0.02,6.07,15.08,13.019,24]tetracosa-1(17),2(6),7(15),8,10,12,19,21,23-nonaene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2(C3=C(C4=C(O3)C=C(C=C4)OC)C5=C(C6=C2OC7=C6C=CC(=C7)OC)C(C(C5(F)F)(F)F)(F)F)C8=CC=C(C=C8)C(C)(C)C

DOS

IR

Vibrations