Geometry & MOs

Info

ID:	276962
PubChem CID:	103825998
Reduced:	SN2O2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	235.033686
ΔH_f, kcal/mol:	-3.57
Dipole, Da:	6.13
IP(EA), eV:	-8.75(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-propylsulfonylethyl)-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)SCC2=CC(=C(C=C2)OC)C#N)C

DOS

IR

Vibrations