Geometry & MOs

Info

ID:

187846

PubChem CID:

77634213

Reduced:

F3N6O8C30H33 (1)

Stoich.:

A3B6C8D30E33 (1)

Weight, g/mol:

548.238333

ΔHf, kcal/mol:

-409.67

Dipole, Da:

0.85

IP(EA), eV:

 -8.98(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]pyrrolidine-2,3-diol

Drug info:

PubChemData

Smile

C1CN(C(C1O)O)C2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)NCC(C5=CC=CC=C5)C6=CC=CC=C6.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations