Geometry & MOs

Info

ID:	6494
PubChem CID:	68758
Reduced:	NSO3H11C12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	249.045964
ΔH_f, kcal/mol:	-63.86
Dipole, Da:	4.97
IP(EA), eV:	-9.39(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC2=NC=CS2)C(=O)O

DOS

IR

Vibrations