Geometry & MOs

Info

ID:

329042

PubChem CID:

126730756

Reduced:

Cl2O4H16F22C51 (1)

Stoich.:

A2B4C16D22E51 (1)

Weight, g/mol:

1436.273179

ΔHf, kcal/mol:

-952.26

Dipole, Da:

2.36

IP(EA), eV:

 -9.49(-1.64)

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-[(5E)-1-(4-methylphenyl)-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenecyclopent-2-en-1-yl]phenyl]phenoxy]phenyl]benzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(C2=CC=C(C=C2)OC3=C(C(=C(C(=C3F)F)C4=C(C(=C(C(=C4F)F)OC5=CC=C(C=C5)Cl)F)F)F)F)(C(F)(F)F)C(F)(F)F)OC6=C(C(=C(C(=C6F)F)C7=C(C(=C(C(=C7F)F)OC8=CC=C(C=C8)Cl)F)F)F)F

DOS

IR

Vibrations