Geometry & MOs

Info

ID:

384900

PubChem CID:

134977900

Reduced:

P3N5C12O13H18 (1)

Stoich.:

A3B5C12D13E18 (1)

Weight, g/mol:

464.961372

ΔHf, kcal/mol:

-701.27

Dipole, Da:

9.79

IP(EA), eV:

 -9.29(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 -3

Chem-info

IUPAC name:

[[[(2R,3S,5R)-5-(4-carbamoyltriazol-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen 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=NC3=C(N=CN=C32)N

DOS

IR

Vibrations