Geometry & MOs

Info

ID:

299887

PubChem CID:

117844540

Reduced:

ClOF2N4H9C17 (1)

Stoich.:

ABC2D4E9F17 (1)

Weight, g/mol:

863.172725

ΔHf, kcal/mol:

24.71

Dipole, Da:

4.47

IP(EA), eV:

 -9.71(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-3-methylpent-2-enethioate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C2=C(C=CC(=C2)F)OC3=NN4C(=NN=C4Cl)C=C3

DOS

IR

Vibrations