Geometry & MOs

Info

ID:	157681
PubChem CID:	56436455
Reduced:	ClN3O4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	442.167477
ΔH_f, kcal/mol:	-69.56
Dipole, Da:	1.83
IP(EA), eV:	-8.84(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3Cl)OC

DOS

IR

Vibrations