Geometry & MOs

Info

ID:

329096

PubChem CID:

126731247

Reduced:

PF2N4O9C31H35 (1)

Stoich.:

AB2C4D9E31F35 (1)

Weight, g/mol:

658.257922

ΔHf, kcal/mol:

-491.64

Dipole, Da:

5.01

IP(EA), eV:

 -9.51(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[(2R,3S,5R)-4,4-difluoro-3-hydroxy-5-[2-oxo-4-(2-propylpentanoylamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H](C(C(O1)N2C=CC(=NC2=O)NC(=O)C3CC4=CC=CC=C4C3)(F)F)O)OC5=CC=CC=C5

DOS

IR

Vibrations