Geometry & MOs

Info

ID:	64884
PubChem CID:	29204149
Reduced:	ClNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	406.156243
ΔH_f, kcal/mol:	-62.15
Dipole, Da:	4.42
IP(EA), eV:	-9.45(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)C2=CC3=C(O2)C=CC(=C3)Cl)C

DOS

IR

Vibrations