Geometry & MOs

Info

ID:

167439

PubChem CID:

74828791

Reduced:

N2I4O5H12C15 (1)

Stoich.:

A2B4C5D12E15 (1)

Weight, g/mol:

859.141425

ΔHf, kcal/mol:

-85.49

Dipole, Da:

4.57

IP(EA), eV:

 -9.26(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-oxo-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hexa-2,5-dienethioate

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C(C(C(=O)O)(N)O)N

DOS

IR

Vibrations