Geometry & MOs

Info

ID:	122283
PubChem CID:	50801185
Reduced:	O3N5C25H27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	351.125277
ΔH_f, kcal/mol:	-21.58
Dipole, Da:	1.71
IP(EA), eV:	-8.6(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(4-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-propylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN=C(NC2=CC=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=N4

DOS

IR

Vibrations