Geometry & MOs

Info

ID:

324264

PubChem CID:

126677268

Reduced:

N2O2C13H22 (1)

Stoich.:

A2B2C13D22 (1)

Weight, g/mol:

808.1487

ΔHf, kcal/mol:

-62.38

Dipole, Da:

3.57

IP(EA), eV:

 -10.25(-0.27)

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)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Drug info:

PubChemData

Smile

CC1CC(C1)C2=NN=C(O2)[C@@H](C)OCC(C)C

DOS

IR

Vibrations