Geometry & MOs

Info

ID:	246842
PubChem CID:	103065069
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	270.140199
ΔH_f, kcal/mol:	-64.09
Dipole, Da:	2.97
IP(EA), eV:	-8.82(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=O)NC(C(=O)N1C2CCSC2)C3=CC=CC=C3

DOS

IR

Vibrations