Geometry & MOs

Info

ID:	144022
PubChem CID:	53301785
Reduced:	N4O4C27H44 (1)
Stoich.:	A4B4C27D44 (1)
Weight, g/mol:	558.320606
ΔH_f, kcal/mol:	-208.17
Dipole, Da:	12.5
IP(EA), eV:	-9.3(-0.39)
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-(cyclohexylmethyl)piperazine-2,3-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)CCN2CCN(C(=O)C2=O)CCCC[C@@H]3CNC(=O)C(=O)N3CC4CCCCC4

DOS

IR

Vibrations