Geometry & MOs

Info

ID:

329043

PubChem CID:

126730757

Reduced:

O2F11H21C38 (2)

Stoich.:

A2B11C21D38 (2)

Weight, g/mol:

1216.147979

ΔHf, kcal/mol:

-857.07

Dipole, Da:

2.68

IP(EA), eV:

 -8.91(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,2,4,5-tetrafluoro-3-[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]-6-[2,3,5,6-tetrafluoro-4-[4-(4-methylphenyl)phenoxy]phenyl]benzene

Drug info:

PubChemData

Smile

C/C=C\C1=CC/C(=C\C=C)/C1(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C4=CC=C(C=C4)OC5=C(C(=C(C(=C5F)F)C6=C(C(=C(C(=C6F)F)OC7=CC=C(C=C7)C(C8=CC=C(C=C8)OC9=C(C(=C(C(=C9F)F)C1=C(C(=C(C(=C1F)F)OC1=CC=C(C=C1)C)F)F)F)F)(C(F)(F)F)C(F)(F)F)F)F)F)F

DOS

IR

Vibrations