Geometry & MOs

Info

ID:	222750
PubChem CID:	85332326
Reduced:	ClF2N4O5C23H25 (1)
Stoich.:	AB2C4D5E23F25 (1)
Weight, g/mol:	512.975091
ΔH_f, kcal/mol:	-236.54
Dipole, Da:	7.29
IP(EA), eV:	-8.99(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[5-(5-cyano-2,4-dioxo-1,3-diazinan-1-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CON=C(C1=CC=C(C=C1)CNC(=O)C2CCCN2C(=O)C(C3=CC(=CC(=C3)Cl)OC(F)F)O)N

DOS

IR

Vibrations