Geometry & MOs

Info

ID:	144024
PubChem CID:	53301806
Reduced:	N2O2C17H22 (2)
Stoich.:	A2B2C17D22 (2)
Weight, g/mol:	552.273656
ΔH_f, kcal/mol:	-147.81
Dipole, Da:	8.8
IP(EA), eV:	-9.37(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-4,5-dibenzyl-1-[4-[(2R)-1-benzyl-5,6-dioxopiperazin-2-yl]butyl]piperazine-2,3-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)CCN2[C@H](CN(C(=O)C2=O)CCCC[C@@H]3CNC(=O)C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations