Geometry & MOs

Info

ID:	376395
PubChem CID:	134222407
Reduced:	O2F5C29H35 (1)
Stoich.:	A2B5C29D35 (1)
Weight, g/mol:	562.139034
ΔH_f, kcal/mol:	-341.08
Dipole, Da:	5.78
IP(EA), eV:	-9.36(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)C(OC4=CC(=C(C=C4)OCF)F)(F)F)F

DOS

IR

Vibrations