Geometry & MOs

Info

ID:	268001
PubChem CID:	103594899
Reduced:	OSN5C12H15 (1)
Stoich.:	ABC5D12E15 (1)
Weight, g/mol:	288.107854
ΔH_f, kcal/mol:	67.05
Dipole, Da:	4.75
IP(EA), eV:	-8.37(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-3-methylsulfanyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

Drug info:

PubChemData

Smile

CN1CCSCC1C2=NOC(=N2)C3=NC=C(C=C3)N

DOS

IR

Vibrations