Geometry & MOs

Info

ID:	246811
PubChem CID:	103065027
Reduced:	SN2O2C14H22 (1)
Stoich.:	AB2C2D14E22 (1)
Weight, g/mol:	298.171499
ΔH_f, kcal/mol:	-86.91
Dipole, Da:	2.29
IP(EA), eV:	-8.66(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-diethyl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione

Drug info:

PubChemData

Smile

CC(C)C1C(=O)NC(C(=O)N1C2CCSC2)C3CC3

DOS

IR

Vibrations