Geometry & MOs

Info

ID:	336979
PubChem CID:	127256544
Reduced:	IPN2O10C11H14 (1)
Stoich.:	ABC2D10E11F14 (1)
Weight, g/mol:	487.92083
ΔH_f, kcal/mol:	-460.52
Dipole, Da:	5.17
IP(EA), eV:	-9.71(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;2-[[(2R,3S,4S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-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)I

DOS

IR

Vibrations