Geometry & MOs

Info

ID:	64885
PubChem CID:	29204150
Reduced:	SN2O5C20H26 (1)
Stoich.:	AB2C5D20E26 (1)
Weight, g/mol:	406.156243
ΔH_f, kcal/mol:	-201.7
Dipole, Da:	6.17
IP(EA), eV:	-9.12(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-[(3S,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)[C@@H](CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations