Geometry & MOs

Info

ID:	139373
PubChem CID:	52519086
Reduced:	ON5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	388.146166
ΔH_f, kcal/mol:	17.3
Dipole, Da:	4.45
IP(EA), eV:	-10.38(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CN2C=NN=C2C#N

DOS

IR

Vibrations