Geometry & MOs

Info

ID:	2017
PubChem CID:	5601
Reduced:	SO2F3H5C8 (1)
Stoich.:	AB2C3D5E8 (1)
Weight, g/mol:	221.996235
ΔH_f, kcal/mol:	-194.56
Dipole, Da:	6.37
IP(EA), eV:	-9.86(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations