Geometry & MOs

Info

ID:

436375

PubChem CID:

135199508

Reduced:

FN2O6C23H29 (1)

Stoich.:

AB2C6D23E29 (1)

Weight, g/mol:

540.283552

ΔHf, kcal/mol:

-277.35

Dipole, Da:

2.13

IP(EA), eV:

 -8.95(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S)-1-cyclohexyl-1-(2,4-dimethylphenyl)propan-2-yl] (2S)-2-[[3-(acetyloxymethoxy)-4-methoxypyridine-2-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=C(C=C(C=C1)F)OC)C(C)C)OC(=O)[C@H](C)NC(=O)C2=NC=CC(=C2O)OC

DOS

IR

Vibrations