Geometry & MOs

Info

ID:	155048
PubChem CID:	56317840
Reduced:	SO2N3H8C10 (2)
Stoich.:	AB2C3D8E10 (2)
Weight, g/mol:	456.196154
ΔH_f, kcal/mol:	59.96
Dipole, Da:	3.36
IP(EA), eV:	-8.97(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-N-phenylbenzamide

Drug info:

PubChemData

Smile

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3OCC4=CSC=N4)[N+](=O)[O-]

DOS

IR

Vibrations