Geometry & MOs

Info

ID:	256868
PubChem CID:	103141986
Reduced:	ClSN2O2H11C12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	268.178693
ΔH_f, kcal/mol:	26.39
Dipole, Da:	3.43
IP(EA), eV:	-9.66(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methyloxolan-2-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione

Drug info:

PubChemData

Smile

CC(CCl)SC1=C2C=NC=CC2=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations