Geometry & MOs

Info

ID:	401741
PubChem CID:	135052394
Reduced:	SN2O3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	279.06258
ΔH_f, kcal/mol:	20.7
Dipole, Da:	4.91
IP(EA), eV:	-8.35(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-ethylsulfanyl-3-phenyl-1,3-thiazol-3-ium-4-yl)acetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)[O-].C1=CC=C(C=C1)C#CC2=CC3=CC=CC=C3C=[N+]2N

DOS

IR

Vibrations