Geometry & MOs

Info

ID:	142828
PubChem CID:	53098020
Reduced:	ClSN3O5C21H22 (1)
Stoich.:	ABC3D5E21F22 (1)
Weight, g/mol:	419.070655
ΔH_f, kcal/mol:	-106.85
Dipole, Da:	5.4
IP(EA), eV:	-8.7(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-chloro-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4)OC

DOS

IR

Vibrations