Geometry & MOs

Info

ID:

84113

PubChem CID:

49864264

Reduced:

N5O11C45H71 (1)

Stoich.:

A5B11C45D71 (1)

Weight, g/mol:

329.101171

ΔHf, kcal/mol:

-492.09

Dipole, Da:

4.75

IP(EA), eV:

 -8.24(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-pyridin-2-ylethynyl)pyrimidine-2,4-dione

Drug info:

PubChemData

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CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)N[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)OCC(CN3CCN(CC3)C4=CC5=CC=CC=C5N=C4)O)C)C)O)(C)O

DOS

IR

Vibrations