Geometry & MOs

Info

ID:	139997
PubChem CID:	52628295
Reduced:	OSN6C23H34 (1)
Stoich.:	ABC6D23E34 (1)
Weight, g/mol:	465.232422
ΔH_f, kcal/mol:	21.71
Dipole, Da:	5.56
IP(EA), eV:	-8.62(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[4-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)CC2=CC=C(C=C2)CNC(=O)CSC3=NN=NN3C4CCCC4)C

DOS

IR

Vibrations