Geometry & MOs

Info

ID:	15817
PubChem CID:	452205
Reduced:	N2P3C7O12H13 (1)
Stoich.:	A2B3C7D12E13 (1)
Weight, g/mol:	409.968135
ΔH_f, kcal/mol:	-698.83
Dipole, Da:	0.97
IP(EA), eV:	-10.03(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxopyrimidin-1-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid

Drug info:

PubChemData

Smile

C1=CN(C(=O)NC1=O)CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O

DOS

IR

Vibrations