Geometry & MOs

Info

ID:

376699

PubChem CID:

134222722

Reduced:

FPN7O7C25H35 (1)

Stoich.:

ABC7D7E25F35 (1)

Weight, g/mol:

609.247612

ΔHf, kcal/mol:

-349.79

Dipole, Da:

3.58

IP(EA), eV:

 -8.48(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)N[P@@](=O)(OCC1[C@H]([C@@]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NC)NC)(C)F)O)OC4=CC=CC=C4

DOS

IR

Vibrations