Geometry & MOs

Info

ID:	246819
PubChem CID:	103065036
Reduced:	SN2O2C12H20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	282.140199
ΔH_f, kcal/mol:	-108.94
Dipole, Da:	1.93
IP(EA), eV:	-8.79(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-6-ethyl-3-methyl-1-(thiolan-3-yl)piperazine-2,5-dione

Drug info:

PubChemData

Smile

CCCC1C(=O)N(C(C(=O)N1)C)C2CCSC2

DOS

IR

Vibrations