Geometry & MOs

Info

ID:	257592
PubChem CID:	103147270
Reduced:	SF2O2C10H12 (1)
Stoich.:	AB2C2D10E12 (1)
Weight, g/mol:	282.06792
ΔH_f, kcal/mol:	-163.0
Dipole, Da:	4.37
IP(EA), eV:	-9.44(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)CC(=O)CCOCC(F)F

DOS

IR

Vibrations