Geometry & MOs

Info

ID:	383606
PubChem CID:	134975413
Reduced:	NPS2O3C8H14 (1)
Stoich.:	ABC2D3E8F14 (1)
Weight, g/mol:	248.074525
ΔH_f, kcal/mol:	-153.95
Dipole, Da:	6.88
IP(EA), eV:	-8.78(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(5-hydroxy-3-methyl-2-phenyl-1,3-thiazol-3-ium-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CCOP(=O)(C1=C(SC=N1)SC)OCC

DOS

IR

Vibrations