Geometry & MOs

Info

ID:

378178

PubChem CID:

134224254

Reduced:

PN3O9C22H26 (1)

Stoich.:

AB3C9D22E26 (1)

Weight, g/mol:

527.166881

ΔHf, kcal/mol:

-367.11

Dipole, Da:

3.2

IP(EA), eV:

 -9.56(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxyethyl (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

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

DOS

IR

Vibrations