Geometry & MOs

Info

ID:	142681
PubChem CID:	53075296
Reduced:	ClSN3O3H18C19 (1)
Stoich.:	ABC3D3E18F19 (1)
Weight, g/mol:	443.151492
ΔH_f, kcal/mol:	-18.33
Dipole, Da:	6.03
IP(EA), eV:	-9.51(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-dimethoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NOC(=N3)C4=CC=CC=C4Cl

DOS

IR

Vibrations