Geometry & MOs

Info

ID:	376396
PubChem CID:	134222408
Reduced:	O4F8H22C27 (1)
Stoich.:	A4B8C22D27 (1)
Weight, g/mol:	550.195407
ΔH_f, kcal/mol:	-498.77
Dipole, Da:	6.96
IP(EA), eV:	-9.53(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1COC(OC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)OCF)F)F)(F)F)F

DOS

IR

Vibrations