Geometry & MOs

Info

ID:	142782
PubChem CID:	53091287
Reduced:	FN2O6H19C20 (1)
Stoich.:	AB2C6D19E20 (1)
Weight, g/mol:	358.078742
ΔH_f, kcal/mol:	-178.68
Dipole, Da:	7.68
IP(EA), eV:	-8.86(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-fluorophenyl)-5-(3-methylsulfanylanilino)-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)NC2=C(C(=NO2)C3=CC=C(C=C3)F)C(=O)OC

DOS

IR

Vibrations