Geometry & MOs

Info

ID:	139999
PubChem CID:	52628375
Reduced:	SO2N4C26H32 (1)
Stoich.:	AB2C4D26E32 (1)
Weight, g/mol:	465.232422
ΔH_f, kcal/mol:	1.69
Dipole, Da:	4.02
IP(EA), eV:	-8.54(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[4-[[(3S,5S)-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)C3=CC=CC=C3SCC4=NC(=NO4)C)C

DOS

IR

Vibrations