Geometry & MOs

Info

ID:

312019

PubChem CID:

126601895

Reduced:

NF2O5C37H39 (1)

Stoich.:

AB2C5D37E39 (1)

Weight, g/mol:

565.26398

ΔHf, kcal/mol:

-261.91

Dipole, Da:

7.76

IP(EA), eV:

 -8.73(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4,5-bis(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C2CCCOC2=C(C=C1C3=C(C(=NC(=C3C4=CC=C(C=C4)OCCC5=CC=C(C=C5)F)C)C)C(C(=O)O)OC(C)(C)C)F

DOS

IR

Vibrations