Geometry & MOs

Info

ID:	26665
PubChem CID:	794514
Reduced:	SN2O2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	237.028206
ΔH_f, kcal/mol:	-52.64
Dipole, Da:	3.33
IP(EA), eV:	-9.57(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone

Drug info:

PubChemData

Smile

CCCC(=O)CSC1=C(C(=CC(=O)N1)C)C#N

DOS

IR

Vibrations