Geometry & MOs

Info

ID:

424974

PubChem CID:

135124646

Reduced:

ClFNO5H29C31 (1)

Stoich.:

ABCD5E29F31 (1)

Weight, g/mol:

501.195151

ΔHf, kcal/mol:

-153.25

Dipole, Da:

3.54

IP(EA), eV:

 -8.85(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[4-[[(1R)-7-fluoro-4-[5-[(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#CC(CC(=O)OC)C1=CC=C(C=C1)O[C@@H]2CCC3=C(C=CC(=C23)F)C4=CC(=C(N=C4)O[C@@H]5CCOC5)Cl

DOS

IR

Vibrations