Geometry & MOs

Info

ID:

311590

PubChem CID:

126594378

Reduced:

FPSO9N10C22H28 (1)

Stoich.:

ABCD9E10F22G28 (1)

Weight, g/mol:

642.153394

ΔHf, kcal/mol:

-372.38

Dipole, Da:

8.6

IP(EA), eV:

 -9.17(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(2R,3S,4S,5R)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxy-2-methyloxolan-2-yl]methoxy-hydroxyphosphinothioyl]-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C[C@]1([C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)OC)O)COP(=S)(O)O[C@@H]4[C@H]([C@H](O[C@H]4N5C=NC6=C5NC(=NC6=O)N)CO)F

DOS

IR

Vibrations