Geometry & MOs

Info

ID:	191654
PubChem CID:	78173497
Reduced:	N2O9C12H14 (1)
Stoich.:	A2B9C12D14 (1)
Weight, g/mol:	528.031129
ΔH_f, kcal/mol:	-275.46
Dipole, Da:	6.22
IP(EA), eV:	-9.28(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[5-(2,4-dioxo-5-propyl-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])N)OC2C(C(C(C(O2)C(=O)O)O)O)O

DOS

IR

Vibrations