Geometry & MOs

Info

ID:

15828

PubChem CID:

453181

Reduced:

N7O8C21H25 (1)

Stoich.:

A7B8C21D25 (1)

Weight, g/mol:

503.176461

ΔHf, kcal/mol:

-205.7

Dipole, Da:

14.19

IP(EA), eV:

 -8.94(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-ethynylimidazole-4-carboxamide;9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C#CC1=C(N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N.C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2NC=NC3=O

DOS

IR

Vibrations