Geometry & MOs

Info

ID:	336982
PubChem CID:	127256547
Reduced:	PN2Na2O9C13H17 (1)
Stoich.:	AB2C2D9E13F17 (1)
Weight, g/mol:	420.031056
ΔH_f, kcal/mol:	-425.07
Dipole, Da:	51.01
IP(EA), eV:	-7.31(-3.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CC(=O)[O-])[O-])O.[Na+].[Na+]

DOS

IR

Vibrations