Geometry & MOs

Info

ID:	284858
PubChem CID:	104078536
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	242.036128
ΔH_f, kcal/mol:	-113.97
Dipole, Da:	3.01
IP(EA), eV:	-9.73(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-oxo-3-(1,3-thiazol-2-yl)morpholine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CN1C(C(CCC1=O)C(=O)O)C2=NC=CS2

DOS

IR

Vibrations