Geometry & MOs

Info

ID:

376411

PubChem CID:

134222424

Reduced:

O5F7C28H29 (1)

Stoich.:

A5B7C28D29 (1)

Weight, g/mol:

680.116461

ΔHf, kcal/mol:

-537.35

Dipole, Da:

11.54

IP(EA), eV:

 -9.52(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-chloro-2-[4-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene

Drug info:

PubChemData

Smile

CCCC12COC(OC1)(OC2)C3CCC(CC3)C4=CC(=C(C(=C4)F)C(OC5=CC(=C(C(=C5)F)OCF)F)(F)F)F

DOS

IR

Vibrations