Geometry & MOs

Info

ID:	64887
PubChem CID:	29204152
Reduced:	SN2O3C23H30 (1)
Stoich.:	AB2C3D23E30 (1)
Weight, g/mol:	406.156243
ΔH_f, kcal/mol:	-105.36
Dipole, Da:	7.66
IP(EA), eV:	-9.33(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](CCC1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations