Geometry & MOs

Info

ID:	68921
PubChem CID:	46512076
Reduced:	ClNSO7H22C23 (1)
Stoich.:	ABCD7E22F23 (1)
Weight, g/mol:	495.042247
ΔH_f, kcal/mol:	-233.27
Dipole, Da:	5.85
IP(EA), eV:	-9.26(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations