Geometry & MOs

Info

ID:

329040

PubChem CID:

126730751

Reduced:

O4F22H22C53 (1)

Stoich.:

A4B22C22D53 (1)

Weight, g/mol:

1230.163629

ΔHf, kcal/mol:

-954.04

Dipole, Da:

5.37

IP(EA), eV:

 -9.4(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[4-(3,5-dimethylphenyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-methylphenoxy)phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]benzene

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)C)F)F)F)F)(C(F)(F)F)C(F)(F)F)F)F)F)F

DOS

IR

Vibrations