Geometry & MOs

Info

ID:	246839
PubChem CID:	103065064
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	298.171499
ΔH_f, kcal/mol:	-74.37
Dipole, Da:	2.52
IP(EA), eV:	-8.75(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(C(=O)N1)C2=CC=CC=C2)C3CCSC3)C

DOS

IR

Vibrations