Geometry & MOs

Info

ID:	258032
PubChem CID:	103150143
Reduced:	OSF2N2C12H18 (1)
Stoich.:	ABC2D2E12F18 (1)
Weight, g/mol:	242.076593
ΔH_f, kcal/mol:	-132.01
Dipole, Da:	3.4
IP(EA), eV:	-9.06(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-oxo-5-(2,2,2-trifluoroethoxy)pentanoate

Drug info:

PubChemData

Smile

CNC1CCCC2=C1N=C(S2)CCOCC(F)F

DOS

IR

Vibrations