Geometry & MOs

Info

ID:	142827
PubChem CID:	53097932
Reduced:	FSN3O3H18C19 (1)
Stoich.:	ABC3D3E18F19 (1)
Weight, g/mol:	463.09687
ΔH_f, kcal/mol:	-73.76
Dipole, Da:	3.65
IP(EA), eV:	-9.59(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)C4=CC=C(C=C4)F

DOS

IR

Vibrations