Geometry & MOs

Info

ID:	38239
PubChem CID:	8028378
Reduced:	SN3O3C9H11 (1)
Stoich.:	AB3C3D9E11 (1)
Weight, g/mol:	415.259683
ΔH_f, kcal/mol:	-58.97
Dipole, Da:	7.51
IP(EA), eV:	-8.96(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanamide

Drug info:

PubChemData

Smile

CN1C=NN(C1=S)[C@H]2CC(=O)[C@@H]3OC[C@@H]2O3

DOS

IR

Vibrations