Geometry & MOs

Info

ID:	336981
PubChem CID:	127256546
Reduced:	BrPN2O10C11H14 (1)
Stoich.:	ABC2D10E11F14 (1)
Weight, g/mol:	422.046706
ΔH_f, kcal/mol:	-472.13
Dipole, Da:	6.78
IP(EA), eV:	-9.78(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O)O)Br

DOS

IR

Vibrations