Geometry & MOs

Info

ID:

378345

PubChem CID:

134224423

Reduced:

ClFPN4O9C21H27 (1)

Stoich.:

ABCD4E9F21G27 (1)

Weight, g/mol:

546.108257

ΔHf, kcal/mol:

-451.79

Dipole, Da:

6.63

IP(EA), eV:

 -9.76(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl (2S)-2-[[[(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-chloro-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCCOC)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