Geometry & MOs

Info

ID:	139357
PubChem CID:	52516308
Reduced:	NO3S3C15H23 (1)
Stoich.:	AB3C3D15E23 (1)
Weight, g/mol:	392.197417
ΔH_f, kcal/mol:	-132.05
Dipole, Da:	7.74
IP(EA), eV:	-9.3(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-methyl-1,3-dioxo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]isoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C1=CC=CS1)NC(=O)CS[C@@H]2CCS(=O)(=O)C2

DOS

IR

Vibrations