Geometry & MOs

Info

ID:	123051
PubChem CID:	50831499
Reduced:	ClO3N4H23C24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	488.128504
ΔH_f, kcal/mol:	-26.68
Dipole, Da:	6.2
IP(EA), eV:	-8.68(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-3-oxopropyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NOC(=N2)C3=CC=C(C=C3)Cl)C(=O)C4CC(=O)N(C4)C5=CC=CC=C5

DOS

IR

Vibrations