Geometry & MOs

Info

ID:

384766

PubChem CID:

134977630

Reduced:

PN2O14C15H23 (1)

Stoich.:

AB2C14D15E23 (1)

Weight, g/mol:

619.08157

ΔHf, kcal/mol:

-667.24

Dipole, Da:

2.89

IP(EA), eV:

 -10.3(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 -2

Chem-info

IUPAC name:

[[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations