Geometry & MOs

Info

ID:

378346

PubChem CID:

134224424

Reduced:

ClFPN4O8C21H25 (1)

Stoich.:

ABCD4E8F21G25 (1)

Weight, g/mol:

522.151565

ΔHf, kcal/mol:

-393.25

Dipole, Da:

9.88

IP(EA), eV:

 -9.47(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-ynyl (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)OCC=C)NP(=O)(OC[C@@H]1[C@H]([C@]([C@@H](O1)N2C=CC(=NC2=O)N)(F)Cl)O)OC3=CC=CC=C3

DOS

IR

Vibrations