Geometry & MOs

Info

ID:

434492

PubChem CID:

135175039

Reduced:

P2S2N10O10C21H28 (1)

Stoich.:

A2B2C10D10E21F28 (1)

Weight, g/mol:

704.075003

ΔHf, kcal/mol:

-460.29

Dipole, Da:

12.21

IP(EA), eV:

 -8.88(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,4R)-6-[[5-(2-amino-6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-(6-aminopurin-9-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanylphosphinic acid

Drug info:

PubChemData

Smile

C1CC(OC1COP(=S)(O)OC([C@]2(CCC(O2)N3C=NC4=C(N=CN=C43)N)COP(=O)(O)S)O)N5C=NC6=C5NC(=NC6=O)N

DOS

IR

Vibrations