Geometry & MOs

Info

ID:

329095

PubChem CID:

126731246

Reduced:

PF2N4O12C31H37 (1)

Stoich.:

AB2C4D12E31F37 (1)

Weight, g/mol:

676.210972

ΔHf, kcal/mol:

-589.75

Dipole, Da:

4.08

IP(EA), eV:

 -8.66(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[(2R,3R)-5-[4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-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@@H](O1)N2C=CC(=NC2=O)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)(F)F)O)OC4=CC=CC=C4

DOS

IR

Vibrations