Geometry & MOs

Info

ID:

337576

PubChem CID:

127258199

Reduced:

NO3C13H13 (3)

Stoich.:

AB3C13D13 (3)

Weight, g/mol:

687.269299

ΔHf, kcal/mol:

-267.49

Dipole, Da:

5.52

IP(EA), eV:

 -8.81(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-4-methoxyoxolan-2-yl]purin-6-yl]benzamide

Drug info:

PubChemData

Smile

CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(=O)NCC3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O

DOS

IR

Vibrations