Geometry & MOs

Info

ID:

376349

PubChem CID:

134222360

Reduced:

ClO2F9H18C29 (1)

Stoich.:

AB2C9D18E29 (1)

Weight, g/mol:

562.139034

ΔHf, kcal/mol:

-445.53

Dipole, Da:

10.69

IP(EA), eV:

 -9.6(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[4-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C=C1)C2=CC(=C(C(=C2)Cl)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)OCF)F)(F)F)F)F)F

DOS

IR

Vibrations