Geometry & MOs

Info

ID:	336977
PubChem CID:	127256542
Reduced:	PN2O10C12H17 (1)
Stoich.:	AB2C10D12E17 (1)
Weight, g/mol:	535.90697
ΔH_f, kcal/mol:	-485.53
Dipole, Da:	5.72
IP(EA), eV:	-9.78(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O)O

DOS

IR

Vibrations