Geometry & MOs

Info

ID:	295458
PubChem CID:	117529942
Reduced:	NSO3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	262.077599
ΔH_f, kcal/mol:	-80.85
Dipole, Da:	4.36
IP(EA), eV:	-9.22(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C2=CC=CO2)C(C)(C)C(=O)O

DOS

IR

Vibrations