Geometry & MOs

Info

ID:

147364

PubChem CID:

53787020

Reduced:

N5O8C15H21 (1)

Stoich.:

A5B8C15D21 (1)

Weight, g/mol:

399.139013

ΔHf, kcal/mol:

-287.27

Dipole, Da:

1.11

IP(EA), eV:

 -9.35(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S,5R)-2-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[C@H]4[C@H]([C@@H]([C@H](O4)CO)O)O)O)O)N

DOS

IR

Vibrations