Geometry & MOs

Info

ID:

163791

PubChem CID:

74380282

Reduced:

F3N5O8C33H44 (1)

Stoich.:

A3B5C8D33E44 (1)

Weight, g/mol:

570.174032

ΔHf, kcal/mol:

-471.68

Dipole, Da:

4.09

IP(EA), eV:

 -9.16(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-hydroxy-5-[6-[[[2-[6-(4-methylpyridin-2-yl)pyridin-3-yl]acetyl]amino]methylamino]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(COC2C(C(C(C(O2)C(=O)O)O)O)O)C3=CC=C(C=C3)C(F)(F)F)C4(CCN(CC4)C(=O)C5=C(N=CN=C5C)C)C

DOS

IR

Vibrations