Geometry & MOs

Info

ID:	144011
PubChem CID:	53299086
Reduced:	SO2N3C9H15 (1)
Stoich.:	AB2C3D9E15 (1)
Weight, g/mol:	558.320606
ΔH_f, kcal/mol:	-58.82
Dipole, Da:	8.58
IP(EA), eV:	-9.53(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)NC2CCCC2

DOS

IR

Vibrations