Geometry & MOs

Info

ID:

436355

PubChem CID:

135199333

Reduced:

FN2O6C28H37 (1)

Stoich.:

AB2C6D28E37 (1)

Weight, g/mol:

498.236601

ΔHf, kcal/mol:

-293.19

Dipole, Da:

6.79

IP(EA), eV:

 -9.21(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S)-1-cyclopentyl-1-phenylpropan-2-yl] (2S)-2-[[3-(acetyloxymethoxy)-4-methoxypyridine-2-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)[C@@H]([C@H](C)OC(=O)[C@H](C)NC(=O)C2=NC=CC(=C2OC(=O)C(C)(C)C)OC)C(C)C

DOS

IR

Vibrations