Geometry & MOs

Info

ID:	376353
PubChem CID:	134222364
Reduced:	O2F6H28C29 (1)
Stoich.:	A2B6C28D29 (1)
Weight, g/mol:	550.195407
ΔH_f, kcal/mol:	-347.47
Dipole, Da:	5.92
IP(EA), eV:	-9.29(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C=C1)C2=CC(=C(C=C2)C3CCC(CC3)C(OC4=CC(=C(C=C4)OCF)F)(F)F)F)F

DOS

IR

Vibrations