Geometry & MOs

Info

ID:	372021
PubChem CID:	131286860
Reduced:	INC10H10 (1)
Stoich.:	ABC10D10 (1)
Weight, g/mol:	201.045964
ΔH_f, kcal/mol:	52.41
Dipole, Da:	3.64
IP(EA), eV:	-9.48(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-ethyl-2-oxo-3H-1,3-thiazol-4-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1I)C(C)C#N

DOS

IR

Vibrations