Geometry & MOs

Info

ID:

436620

PubChem CID:

135206199

Reduced:

FN3O4C29H42 (1)

Stoich.:

AB3C4D29E42 (1)

Weight, g/mol:

497.325357

ΔHf, kcal/mol:

-220.62

Dipole, Da:

7.39

IP(EA), eV:

 -8.74(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[5-(5-butoxypyridin-2-yl)-4-(4,4-dimethylpiperidin-1-yl)-2-ethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CCC(C)COC1=C(C=C(C=N1)C2=CN=C(C(=C2N3CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C)C)F

DOS

IR

Vibrations