Geometry & MOs

Info

ID:	204862
PubChem CID:	80022499
Reduced:	SN2O3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	229.11365
ΔH_f, kcal/mol:	-39.18
Dipole, Da:	2.69
IP(EA), eV:	-8.99(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methyl-2-(sulfanylmethyl)butyl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CC(CN1C(=O)CC2=C1C=CC(=C2)[N+](=O)[O-])CS

DOS

IR

Vibrations