Geometry & MOs

Info

ID:

84551

PubChem CID:

49867767

Reduced:

O3C27H40 (1)

Stoich.:

A3B27C40 (1)

Weight, g/mol:

695.097614

ΔHf, kcal/mol:

-118.44

Dipole, Da:

2.11

IP(EA), eV:

 -8.7(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(2S,3S,4R,5R,6R)-2-[[[(2R,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-3-[(2-hydroxyacetyl)amino]-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid

Drug info:

PubChemData

Smile

C[C@H](CC#CC(C)(C)O)[C@H]1CC[C@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C

DOS

IR

Vibrations