Geometry & MOs

Info

ID:	376314
PubChem CID:	134222324
Reduced:	O2F7H21C25 (1)
Stoich.:	A2B7C21D25 (1)
Weight, g/mol:	446.115265
ΔH_f, kcal/mol:	-377.46
Dipole, Da:	7.82
IP(EA), eV:	-9.64(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-difluoro-4-(fluoromethoxy)phenyl] 2,6-difluoro-4-(5-propyl-1,3-dioxan-2-yl)benzoate

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)OCF)F)(F)F)F

DOS

IR

Vibrations