Geometry & MOs

Info

ID:	17498
PubChem CID:	501533
Reduced:	ClN2P3C9H14O14 (1)
Stoich.:	AB2C3D9E14F14 (1)
Weight, g/mol:	501.934642
ΔH_f, kcal/mol:	-800.75
Dipole, Da:	6.8
IP(EA), eV:	-9.61(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2S,4R,5R)-5-(5-chloro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

C1[C@H](O[C@H]([C@@H]1O)N2C=C(C(=O)NC2=O)Cl)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

DOS

IR

Vibrations