Geometry & MOs

Info

ID:

378179

PubChem CID:

134224255

Reduced:

PN3O10C22H30 (1)

Stoich.:

AB3C10D22E30 (1)

Weight, g/mol:

561.112401

ΔHf, kcal/mol:

-472.27

Dipole, Da:

5.32

IP(EA), eV:

 -9.63(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations