Geometry & MOs

Info

ID:	122783
PubChem CID:	50821246
Reduced:	FS2N3O3C18H20 (1)
Stoich.:	AB2C3D3E18F20 (1)
Weight, g/mol:	423.047812
ΔH_f, kcal/mol:	-69.6
Dipole, Da:	3.44
IP(EA), eV:	-9.71(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-5-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCCN(C)S(=O)(=O)C1=C(SC(=C1)C2=NC(=NO2)C3=CC(=CC=C3)F)C

DOS

IR

Vibrations