Geometry & MOs

Info

ID:	295459
PubChem CID:	117529945
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	262.077599
ΔH_f, kcal/mol:	-39.87
Dipole, Da:	3.68
IP(EA), eV:	-9.58(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations