Geometry & MOs

Info

ID:

311607

PubChem CID:

126595472

Reduced:

PN10O10C20H25 (1)

Stoich.:

AB10C10D20E25 (1)

Weight, g/mol:

601.13585

ΔHf, kcal/mol:

-337.9

Dipole, Da:

12.02

IP(EA), eV:

 -9.28(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4S,5R)-2-(2-amino-6-oxo-3H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]-[[(2R,3R,4S,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy]phosphinic acid

Drug info:

PubChemData

Smile

C1=NN2C(=C1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([C@@H]4[C@@H]([C@H](O[C@H]4N5C=NC6=C5NC(=NC6=O)N)CO)O)O)O)O)N=CN=C2N

DOS

IR

Vibrations