Geometry & MOs

Info

ID:

329041

PubChem CID:

126730754

Reduced:

O2F11H14C30 (2)

Stoich.:

A2B11C14D30 (2)

Weight, g/mol:

1180.007434

ΔHf, kcal/mol:

-942.02

Dipole, Da:

4.9

IP(EA), eV:

 -9.26(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-chlorophenoxy)-4-[4-[4-[2-[4-[4-[4-(4-chlorophenoxy)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=C(C(=C(C(=C2F)F)C3=C(C(=C(C(=C3F)F)OC4=CC=C(C=C4)C(C5=CC=C(C=C5)OC6=C(C(=C(C(=C6F)F)C7=C(C(=C(C(=C7F)F)OC8=CC=C(C=C8)C9=CC(=CC(=C9)C)C)F)F)F)F)(C(F)(F)F)C(F)(F)F)F)F)F)F

DOS

IR

Vibrations