Geometry & MOs

Info

ID:	317303
PubChem CID:	126635477
Reduced:	S2N3O3C13H15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	279.023311
ΔH_f, kcal/mol:	-69.22
Dipole, Da:	3.05
IP(EA), eV:	-8.72(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=CN=C2)OC)NC(=O)C(CS)O

DOS

IR

Vibrations