Geometry & MOs

Info

ID:	2059
PubChem CID:	5686
Reduced:	N4O6C29H40 (1)
Stoich.:	A4B6C29D40 (1)
Weight, g/mol:	540.294785
ΔH_f, kcal/mol:	-221.27
Dipole, Da:	5.83
IP(EA), eV:	-9.27(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N1)CC3=CC=CC=C3)CCCCCC(=O)C4CO4

DOS

IR

Vibrations