Geometry & MOs

Info

ID:	381741
PubChem CID:	134972559
Reduced:	OYN2F3H6C8 (1)
Stoich.:	ABC2D3E6F8 (1)
Weight, g/mol:	444.157288
ΔH_f, kcal/mol:	-82.42
Dipole, Da:	3.15
IP(EA), eV:	-5.98(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-benzoyloxy-2-[(2S,3R)-3-phenylmethoxy-2,3-dihydrofuran-2-yl]ethyl] benzoate

Drug info:

PubChemData

Smile

C1C(C2=CC=[C-]NC2=N1)(C(F)(F)F)O.[Y]

DOS

IR

Vibrations