Geometry & MOs

Info

ID:

324099

PubChem CID:

126676919

Reduced:

N2O3C22H26 (1)

Stoich.:

A2B3C22D26 (1)

Weight, g/mol:

680.06497

ΔHf, kcal/mol:

-77.51

Dipole, Da:

7.08

IP(EA), eV:

 -8.72(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-2-[[[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-3-yl] (2S)-2-aminopropanoate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]([C@@H](CN1)COC2=CC3=C(CNC3=O)C=C2)C4=CC=C(C=C4)OC

DOS

IR

Vibrations