Geometry & MOs

Info

ID:

384428

PubChem CID:

134976967

Reduced:

N2P3C11O15H17 (1)

Stoich.:

A2B3C11D15E17 (1)

Weight, g/mol:

519.968529

ΔHf, kcal/mol:

-840.63

Dipole, Da:

5.81

IP(EA), eV:

 -10.3(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 -4

Chem-info

IUPAC name:

[[[(2S,3R,4S)-3-acetyloxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

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