Geometry & MOs

Info

ID:	142832
PubChem CID:	53098043
Reduced:	ClSN3O3H18C19 (1)
Stoich.:	ABC3D3E18F19 (1)
Weight, g/mol:	417.09139
ΔH_f, kcal/mol:	-31.7
Dipole, Da:	6.62
IP(EA), eV:	-9.48(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN=C(O2)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

DOS

IR

Vibrations