Geometry & MOs

Info

ID:	177021
PubChem CID:	76125623
Reduced:	O2N4C13H16 (2)
Stoich.:	A2B4C13D16 (2)
Weight, g/mol:	608.19585
ΔH_f, kcal/mol:	-83.78
Dipole, Da:	3.78
IP(EA), eV:	-9.46(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-hydroxy-5-(5-iodo-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]-2-oxononyl] octanoate

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(CC2=CN=CN2)N)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CN=CN4)C=O

DOS

IR

Vibrations