Geometry & MOs

Info

ID:	296666
PubChem CID:	117588044
Reduced:	SO2F3C8H11 (1)
Stoich.:	AB2C3D8E11 (1)
Weight, g/mol:	168.003428
ΔH_f, kcal/mol:	-254.74
Dipole, Da:	2.03
IP(EA), eV:	-10.08(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(trifluoromethoxy)but-2-ynoic acid

Drug info:

PubChemData

Smile

C1CC(C1)(CC(=O)O)CSC(F)(F)F

DOS

IR

Vibrations