Geometry & MOs

Info

ID:	137041
PubChem CID:	52142942
Reduced:	SN3O3C12H19 (1)
Stoich.:	AB3C3D12E19 (1)
Weight, g/mol:	244.111973
ΔH_f, kcal/mol:	-74.45
Dipole, Da:	5.45
IP(EA), eV:	-8.83(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[2-[[5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]azanium

Drug info:

PubChemData

Smile

C1C[C@H](OC1)C2=NN=C(O2)SCCN3CCOCC3

DOS

IR

Vibrations