Geometry & MOs

Info

ID:	139877
PubChem CID:	52610828
Reduced:	SN3O3C23H39 (1)
Stoich.:	AB3C3D23E39 (1)
Weight, g/mol:	337.260351
ΔH_f, kcal/mol:	-158.13
Dipole, Da:	5.89
IP(EA), eV:	-8.35(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[(2S)-2-methylpiperidin-1-ium-1-yl]butyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1CCCCNC(=O)[C@@H](CC(C)C)NS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations