Geometry & MOs

Info

ID:	296989
PubChem CID:	117604968
Reduced:	ClN2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	353.108565
ΔH_f, kcal/mol:	-5.33
Dipole, Da:	1.23
IP(EA), eV:	-8.85(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CN=C(C=C1C2=C(C=CC(=C2)Cl)C#N)OC

DOS

IR

Vibrations