Geometry & MOs

Info

ID:	376350
PubChem CID:	134222361
Reduced:	O4F8H22C27 (1)
Stoich.:	A4B8C22D27 (1)
Weight, g/mol:	590.170335
ΔH_f, kcal/mol:	-499.91
Dipole, Da:	7.5
IP(EA), eV:	-9.69(-1.36)
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]-3-fluorophenyl]-5-pentyl-1,3-dioxane

Drug info:

PubChemData

Smile

CCCC1COC(OC1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)OCF)F)(F)F)F)F

DOS

IR

Vibrations