Geometry & MOs

Info

ID:

427310

PubChem CID:

135156825

Reduced:

ClFO3N5C10H11 (1)

Stoich.:

ABC3D5E10F11 (1)

Weight, g/mol:

782.232591

ΔHf, kcal/mol:

-106.53

Dipole, Da:

4.63

IP(EA), eV:

 -9.54(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diethyl 2-[[(2R,3S,4S,5R)-5-[2-chloro-6-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]-4-fluoro-3-(4-nitrobenzoyl)oxyoxolan-2-yl]methoxy]propanedioate

Drug info:

PubChemData

Smile

C1=NN(C2=NC(=NC(=C21)N)Cl)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F

DOS

IR

Vibrations