Geometry & MOs

Info

ID:

298804

PubChem CID:

117657136

Reduced:

F3O4H21C31 (1)

Stoich.:

A3B4C21D31 (1)

Weight, g/mol:

542.189338

ΔHf, kcal/mol:

-123.05

Dipole, Da:

6.23

IP(EA), eV:

 -8.76(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(E)-2-[4-[(E)-2-[2-fluoro-4-[(E)-2-(2-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl] prop-2-enoate

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC1=CC=C(C=C1)C#CC2=CC(=C(C=C2)C#CC3=CC=CC=C3OC(=O)C(=C)C)C(F)(F)F

DOS

IR

Vibrations