Geometry & MOs

Info

ID:	376346
PubChem CID:	134222357
Reduced:	O2F4H28C29 (1)
Stoich.:	A2B4C28D29 (1)
Weight, g/mol:	544.148456
ΔH_f, kcal/mol:	-233.42
Dipole, Da:	4.59
IP(EA), eV:	-8.83(-0.89)
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]phenyl]-5-propyl-1,3-dioxane

Drug info:

PubChemData

Smile

CCCC1CCC(=CC1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C(OC4=CC=C(C=C4)OCF)(F)F)F

DOS

IR

Vibrations