Geometry & MOs

Info

ID:

376403

PubChem CID:

134222415

Reduced:

O2F6H26C29 (1)

Stoich.:

A2B6C26D29 (1)

Weight, g/mol:

644.217285

ΔHf, kcal/mol:

-322.85

Dipole, Da:

7.11

IP(EA), eV:

 -9.26(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1CCC(=CC1)C2=CC(=C(C=C2)C(OC3=CC=C(C=C3)C4=CC(=C(C(=C4)F)OCF)F)(F)F)F

DOS

IR

Vibrations