Geometry & MOs

Info

ID:

436354

PubChem CID:

135199321

Reduced:

FN2O6C28H37 (1)

Stoich.:

AB2C6D28E37 (1)

Weight, g/mol:

516.263565

ΔHf, kcal/mol:

-291.71

Dipole, Da:

3.65

IP(EA), eV:

 -9.22(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[(2S)-1-[(2S,3S)-3-(4-fluoro-2-methylphenyl)-4-methylpentan-2-yl]oxy-1-oxopropan-2-yl]carbamoyl]-4-methoxypyridin-3-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)O[C@@H](C)[C@H](C1=C(C=C(C=C1)F)C)C(C)C)NC(=O)C2=NC=CC(=C2OC(=O)C)OC

DOS

IR

Vibrations