Geometry & MOs

Info

ID:	133260
PubChem CID:	51499842
Reduced:	SO3N4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	359.269853
ΔH_f, kcal/mol:	-112.96
Dipole, Da:	4.29
IP(EA), eV:	-8.99(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-1-(4-methylpiperidin-1-ium-1-yl)butan-2-yl]-4-phenyloxane-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C[C@H]2CCCCN2S(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

DOS

IR

Vibrations