Geometry & MOs

Info

ID:

378177

PubChem CID:

134224253

Reduced:

PN3O9C21H26 (1)

Stoich.:

AB3C9D21E26 (1)

Weight, g/mol:

507.140666

ΔHf, kcal/mol:

-405.14

Dipole, Da:

8.66

IP(EA), eV:

 -9.85(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-ynyl (2S)-2-[[[(2S,3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-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(=O)NC2=O)O)OC3=CC=CC=C3

DOS

IR

Vibrations