Geometry & MOs

Info

ID:	294109
PubChem CID:	117427194
Reduced:	ClN3O3C11H12 (1)
Stoich.:	AB3C3D11E12 (1)
Weight, g/mol:	268.991342
ΔH_f, kcal/mol:	-23.2
Dipole, Da:	3.75
IP(EA), eV:	-8.82(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-6-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1OC)Cl)C2=NOC(=N2)CN

DOS

IR

Vibrations