Geometry & MOs

Info

ID:	217114
PubChem CID:	85087280
Reduced:	Cl2O2N3H9C15 (1)
Stoich.:	A2B2C3D9E15 (1)
Weight, g/mol:	336.072253
ΔH_f, kcal/mol:	29.36
Dipole, Da:	5.78
IP(EA), eV:	-9.03(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)-3,6-dihydro-2H-pyran-3-yl]oxymethyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC(=CNC2=NN=C(O2)C3=C(C=C(C=C3)Cl)Cl)C(=O)C=C1

DOS

IR

Vibrations