Geometry & MOs

Info

ID:

434258

PubChem CID:

135174544

Reduced:

ClN2O3C16H21 (1)

Stoich.:

AB2C3D16E21 (1)

Weight, g/mol:

643.112769

ΔHf, kcal/mol:

-107.26

Dipole, Da:

5.3

IP(EA), eV:

 -9.81(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxyphosphinic acid

Drug info:

PubChemData

Smile

CN1C(=O)C([C@H]2[C@@]1(C(=O)N2)[C@@H](C=O)[C@H]3CCCC=C3)CCCl

DOS

IR

Vibrations