Geometry & MOs

Info

ID:	144023
PubChem CID:	53301805
Reduced:	N4O4C33H42 (1)
Stoich.:	A4B4C33D42 (1)
Weight, g/mol:	572.336256
ΔH_f, kcal/mol:	-131.2
Dipole, Da:	12.6
IP(EA), eV:	-9.66(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2[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