Geometry & MOs

Info

ID:	246810
PubChem CID:	103065026
Reduced:	SN2O2C16H26 (1)
Stoich.:	AB2C2D16E26 (1)
Weight, g/mol:	282.140199
ΔH_f, kcal/mol:	-119.09
Dipole, Da:	4.35
IP(EA), eV:	-8.73(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1C(=O)NC(C(=O)N1C2CCSC2)C3CCCCC3

DOS

IR

Vibrations