Geometry & MOs

Info

ID:	214028
PubChem CID:	81065854
Reduced:	ClN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	286.098728
ΔH_f, kcal/mol:	-141.77
Dipole, Da:	4.34
IP(EA), eV:	-8.78(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=C(C=C(C=C1)Cl)C(=O)N

DOS

IR

Vibrations