Geometry & MOs

Info

ID:	23425
PubChem CID:	603460
Reduced:	SO2F3C9H11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	240.043185
ΔH_f, kcal/mol:	-258.67
Dipole, Da:	5.56
IP(EA), eV:	-10.1(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-2-(trifluoromethylsulfanyl)cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CC1(CC(=O)C(C(=O)C1)SC(F)(F)F)C

DOS

IR

Vibrations