Geometry & MOs

Info

ID:	238726
PubChem CID:	92765290
Reduced:	SO2N4C29H30 (1)
Stoich.:	AB2C4D29E30 (1)
Weight, g/mol:	308.148455
ΔH_f, kcal/mol:	2.98
Dipole, Da:	5.13
IP(EA), eV:	-8.6(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)CS[C@@]23C4=CC=CC=C4N(C3=O)CN5CCN(CC5)CC6=CC=CC=C6

DOS

IR

Vibrations