Geometry & MOs

Info

ID:

376412

PubChem CID:

134222425

Reduced:

ClO2F9H22C35 (1)

Stoich.:

AB2C9D22E35 (1)

Weight, g/mol:

550.195407

ΔHf, kcal/mol:

-423.57

Dipole, Da:

11.1

IP(EA), eV:

 -9.48(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)Cl)C4=CC(=C(C(=C4)F)C(OC5=CC(=C(C(=C5)F)OCF)F)(F)F)F)F)F

DOS

IR

Vibrations