Geometry & MOs

Info

ID:

384427

PubChem CID:

134976966

Reduced:

N2P3C11H13O15 (1)

Stoich.:

A2B3C11D13E15 (1)

Weight, g/mol:

509.984179

ΔHf, kcal/mol:

-609.71

Dipole, Da:

1.7

IP(EA), eV:

 -10.19(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R,4S)-4-(2,4-dioxopyrimidin-1-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@H](CO[C@H]1COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])N2C=CC(=O)NC2=O

DOS

IR

Vibrations