Geometry & MOs

Info

ID:	425063
PubChem CID:	135125014
Reduced:	SF2O2N4H18C20 (1)
Stoich.:	AB2C2D4E18F20 (1)
Weight, g/mol:	515.210801
ΔH_f, kcal/mol:	-67.05
Dipole, Da:	2.33
IP(EA), eV:	-9.55(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C=CC(=C2)/C=C(/C3=CC=C(C=C3)C#N)\F)F

DOS

IR

Vibrations