Geometry & MOs

Info

ID:

2812

PubChem CID:

8629

Reduced:

N2P2C15O17H24 (1)

Stoich.:

A2B2C15D17E24 (1)

Weight, g/mol:

566.055021

ΔHf, kcal/mol:

-866.54

Dipole, Da:

9.44

IP(EA), eV:

 -9.9(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

DOS

IR

Vibrations