Geometry & MOs

Info

ID:

223902

PubChem CID:

85335737

Reduced:

Cl2F3N4O6C31H33 (1)

Stoich.:

A2B3C4D6E31F33 (1)

Weight, g/mol:

685.028407

ΔHf, kcal/mol:

-398.69

Dipole, Da:

8.27

IP(EA), eV:

 -9.09(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 3

Chem-info

IUPAC name:

[3,4-dihydroxy-5-(6-sulfanylidene-5H-purin-9-yl)oxolan-2-yl]methoxy-[[[5-(2,4-dioxo-1,3-diazinan-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxophosphaniumyl]oxy-oxophosphaniumyl]oxy-oxophosphanium

Drug info:

PubChemData

Smile

C1CCC(C1)(CCNC(=O)C2CCCN2C(=O)C(F)(F)F)C(=O)NC(CC3=CC=C(C=C3)NC(=O)C4=C(C=CC=C4Cl)Cl)C(=O)O

DOS

IR

Vibrations