Geometry & MOs

Info

ID:	442047
PubChem CID:	135248475
Reduced:	O5N9C41H65 (1)
Stoich.:	A5B9C41D65 (1)
Weight, g/mol:	284.148455
ΔH_f, kcal/mol:	-199.63
Dipole, Da:	2.37
IP(EA), eV:	-8.54(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,5-dioxopiperazin-1-yl)butan-2-yl-(2-oxoethyl)amino]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCCC1=CC(=NO1)CNC2=NC3=CC=CC=C3C(=N2)NC4CCN(CC4)CCN)CCCN(C5CCCCC5)C(=O)OC(C)(C)C

DOS

IR

Vibrations