Geometry & MOs

Info

ID:	146628
PubChem CID:	53719791
Reduced:	S2O4C7H12 (1)
Stoich.:	A2B4C7D12 (1)
Weight, g/mol:	208.016971
ΔH_f, kcal/mol:	-188.54
Dipole, Da:	4.16
IP(EA), eV:	-9.96(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-4-thiophen-2-ylbutan-2-one

Drug info:

PubChemData

Smile

C(CC(C(=O)O)S)CC(C(=O)O)S

DOS

IR

Vibrations