Geometry & MOs

Info

ID:	324141
PubChem CID:	126677009
Reduced:	SN3O6C26H33 (1)
Stoich.:	AB3C6D26E33 (1)
Weight, g/mol:	280.153541
ΔH_f, kcal/mol:	-230.09
Dipole, Da:	5.08
IP(EA), eV:	-8.89(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-methylidene-5-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1=O)C=C(C=C2)OC[C@@H]3CNCC[C@H]3C4=CC=C(C=C4)NS(=O)(=O)C

DOS

IR

Vibrations