Geometry & MOs

Info

ID:

144012

PubChem CID:

53299682

Reduced:

N4O4C33H42 (1)

Stoich.:

A4B4C33D42 (1)

Weight, g/mol:

558.414506

ΔHf, kcal/mol:

-132.16

Dipole, Da:

13.99

IP(EA), eV:

 -9.49(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2[C@H](CNC(=O)C2=O)CCCCN3C[C@@H](N(C(=O)C3=O)CC4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations