Geometry & MOs

Info

ID:	257530
PubChem CID:	103146821
Reduced:	ClSO2F3H8C9 (1)
Stoich.:	ABC2D3E8F9 (1)
Weight, g/mol:	252.058499
ΔH_f, kcal/mol:	-215.34
Dipole, Da:	5.45
IP(EA), eV:	-9.7(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6,6-trifluoro-1-(2,2,2-trifluoroethoxy)hexan-3-one

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Cl)C(=O)CCOCC(F)(F)F

DOS

IR

Vibrations