Geometry & MOs

Info

ID:	213510
PubChem CID:	81063957
Reduced:	SN2O3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	283.153206
ΔH_f, kcal/mol:	-113.11
Dipole, Da:	3.1
IP(EA), eV:	-8.51(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C(N=CC=C1)SC

DOS

IR

Vibrations