Geometry & MOs

Info

ID:

337577

PubChem CID:

127258200

Reduced:

N5O7H37C39 (1)

Stoich.:

A5B7C37D39 (1)

Weight, g/mol:

354.128782

ΔHf, kcal/mol:

-103.41

Dipole, Da:

4.99

IP(EA), eV:

 -8.7(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[(2R,3R,4R,5R)-2-(2,6-diaminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxyacetate

Drug info:

PubChemData

Smile

CO[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC

DOS

IR

Vibrations