Geometry & MOs

Info

ID:

378204

PubChem CID:

134224280

Reduced:

FPN3O10C22H29 (1)

Stoich.:

ABC3D10E22F29 (1)

Weight, g/mol:

492.141001

ΔHf, kcal/mol:

-511.12

Dipole, Da:

10.13

IP(EA), eV:

 -9.63(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@@H]2[C@@H]([C@H]([C@@H](O2)COP(=O)(N[C@@H](C)C(=O)OCCOC)OC3=CC=CC=C3)O)F

DOS

IR

Vibrations