Geometry & MOs

Info

ID:

434203

PubChem CID:

135174410

Reduced:

O3C10H14 (1)

Stoich.:

A3B10C14 (1)

Weight, g/mol:

727.026754

ΔHf, kcal/mol:

-121.85

Dipole, Da:

3.02

IP(EA), eV:

-9.49(-0.27)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-amino-9-[(2R,3R,4S,5R)-5-(dihydroxyphosphinothioyloxymethyl)-3-[[(2S,5R)-4-fluoro-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-hydroxythiolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

CC1=C2[C@@H](CC(C1=O)(C)C)OCO2

DOS

IR

Vibrations