Geometry & MOs

Info

ID:	383653
PubChem CID:	134975503
Reduced:	S2N3O3C7H9 (1)
Stoich.:	A2B3C3D7E9 (1)
Weight, g/mol:	257.98703
ΔH_f, kcal/mol:	-56.51
Dipole, Da:	4.01
IP(EA), eV:	-8.91(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,2,2-trifluoro-1-(5-hydroxy-3-methyl-2-methylsulfanyl-1,3-thiazol-3-ium-4-yl)ethanone

Drug info:

PubChemData

Smile

CN(C)C1=C(C(=NS1)OS(=O)(=O)C)C#N

DOS

IR

Vibrations