Geometry & MOs

Info

ID:

424839

PubChem CID:

135124151

Reduced:

SO4N5C32H37 (1)

Stoich.:

AB4C5D32E37 (1)

Weight, g/mol:

540.20605

ΔHf, kcal/mol:

-56.79

Dipole, Da:

5.98

IP(EA), eV:

 -9.09(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[[(1R)-4-[5-cyano-6-(oxan-4-yloxy)pyridin-3-yl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hex-4-ynoic acid

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=C(C=CC(=C3)[C@@H](C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)N=C=O)C

DOS

IR

Vibrations