Geometry & MOs

Info

ID:	336970
PubChem CID:	127256535
Reduced:	PNa2N5O7C10H12 (1)
Stoich.:	AB2C5D7E10F12 (1)
Weight, g/mol:	418.015406
ΔH_f, kcal/mol:	-421.81
Dipole, Da:	20.85
IP(EA), eV:	-9.24(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;2-[[(2R,3S,5R)-5-(5-ethynyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]acetate

Drug info:

PubChemData

Smile

C1=NC2=C(N1COCCOP(=O)(CC(=O)[O-])[O-])NC(=NC2=O)N.[Na+].[Na+]

DOS

IR

Vibrations