Geometry & MOs

Info

ID:	376381
PubChem CID:	134222393
Reduced:	O2F9H19C31 (1)
Stoich.:	A2B9C19D31 (1)
Weight, g/mol:	428.124686
ΔH_f, kcal/mol:	-384.6
Dipole, Da:	11.35
IP(EA), eV:	-9.49(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C=C1)C#CC2=CC(=C(C(=C2)F)C(OC3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)OCF)F)F)(F)F)F)F

DOS

IR

Vibrations