Geometry & MOs

Info

ID:	374386
PubChem CID:	131327886
Reduced:	ClNSO2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	258.095748
ΔH_f, kcal/mol:	-24.09
Dipole, Da:	4.22
IP(EA), eV:	-9.62(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(chloromethyl)-4-ethyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole

Drug info:

PubChemData

Smile

C1=CC(=C2C=C(SC2=C1C(=O)O)CC#N)Cl

DOS

IR

Vibrations