Geometry & MOs

Info

ID:

378342

PubChem CID:

134224420

Reduced:

PN6O8C27H37 (1)

Stoich.:

AB6C8D27E37 (1)

Weight, g/mol:

582.20908

ΔHf, kcal/mol:

-332.14

Dipole, Da:

6.58

IP(EA), eV:

 -8.97(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-4-methyl-3-oxopentan-2-yl] (2S)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O[C@@H](C)C(=O)C(C)C)N[P@](=O)(OC[C@@H]1[C@H](CC(C1=C)N2C=NC3=C2NC(=NC3O)N)O)OC4=CC=CC=C4

DOS

IR

Vibrations