Geometry & MOs

Info

ID:	15816
PubChem CID:	452203
Reduced:	N3P3C7O11H14 (1)
Stoich.:	A3B3C7D11E14 (1)
Weight, g/mol:	408.984119
ΔH_f, kcal/mol:	-654.05
Dipole, Da:	3.75
IP(EA), eV:	-9.7(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-2-oxopyrimidin-1-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid

Drug info:

PubChemData

Smile

C1=CN(C(=O)N=C1N)CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O

DOS

IR

Vibrations