Geometry & MOs

Info

ID:	85826
PubChem CID:	49879599
Reduced:	SCl2O2N3C15H16 (1)
Stoich.:	AB2C2D3E15F16 (1)
Weight, g/mol:	284.062436
ΔH_f, kcal/mol:	14.53
Dipole, Da:	4.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750039
Charge, e:	-1

Chem-info

IUPAC name:

2-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethanamine;chloride

Drug info:

PubChemData

Smile

C1CNCCC1C2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Cl.[Cl-]

DOS

IR

Vibrations