Geometry & MOs

Info

ID:

424960

PubChem CID:

135124572

Reduced:

FNO5H30C31 (1)

Stoich.:

ABC5D30E31 (1)

Weight, g/mol:

515.210801

ΔHf, kcal/mol:

-168.82

Dipole, Da:

7.1

IP(EA), eV:

 -8.96(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[[(1R)-7-fluoro-4-[4-methyl-6-[(3R)-oxolan-3-yl]oxypyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hex-4-ynoic acid

Drug info:

PubChemData

Smile

CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)O[C@@H]2CCC3=C(C=CC(=C23)F)C4=CN=C(C=C4C)O[C@@H]5CCOC5

DOS

IR

Vibrations