Geometry & MOs

Info

ID:

15749

PubChem CID:

449393

Reduced:

PN10O12C20H25 (1)

Stoich.:

AB10C12D20E25 (1)

Weight, g/mol:

628.139103

ΔHf, kcal/mol:

-434.85

Dipole, Da:

21.15

IP(EA), eV:

 -9.13(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=NC6=C5NC(=NC6=O)N)CO)O)O)O)NC(=NC2=O)N

DOS

IR

Vibrations