Geometry & MOs

Info

ID:

376704

PubChem CID:

134222727

Reduced:

NPSO3C22H32 (1)

Stoich.:

ABCD3E22F32 (1)

Weight, g/mol:

537.166598

ΔHf, kcal/mol:

-191.17

Dipole, Da:

5.56

IP(EA), eV:

 -8.6(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phosphanyloxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)COC(C)(C)C)NP(=S)(C(C)(C)C)OC1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations