Geometry & MOs

Info

ID:	55275
PubChem CID:	17389990
Reduced:	F3O3H11C12 (1)
Stoich.:	A3B3C11D12 (1)
Weight, g/mol:	340.020342
ΔH_f, kcal/mol:	-228.91
Dipole, Da:	5.86
IP(EA), eV:	-8.76(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-4,4-bis(phenylsulfanyl)but-3-en-2-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)/C=C/C(=O)C(F)(F)F

DOS

IR

Vibrations