Geometry & MOs

Info

ID:

376419

PubChem CID:

134222432

Reduced:

O2F8H30C35 (1)

Stoich.:

A2B8C30D35 (1)

Weight, g/mol:

638.170335

ΔHf, kcal/mol:

-411.67

Dipole, Da:

9.62

IP(EA), eV:

 -9.13(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2=CC(=C(C=C2)C3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)C(OC5=CC(=C(C=C5)OCF)F)(F)F)F)F)F

DOS

IR

Vibrations