Geometry & MOs

Info

ID:	1997
PubChem CID:	5532
Reduced:	N4O6C33H40 (1)
Stoich.:	A4B6C33D40 (1)
Weight, g/mol:	588.294785
ΔH_f, kcal/mol:	-182.15
Dipole, Da:	2.21
IP(EA), eV:	-9.51(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dibenzyl-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CC=CC=C3)CC4=CC=CC=C4)CCCCCC(=O)C5CO5

DOS

IR

Vibrations