Geometry & MOs

Info

ID:	424975
PubChem CID:	135124649
Reduced:	FNO5H28C30 (1)
Stoich.:	ABC5D28E30 (1)
Weight, g/mol:	501.195151
ΔH_f, kcal/mol:	-152.47
Dipole, Da:	5.65
IP(EA), eV:	-8.98(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[(1R)-7-fluoro-4-[5-(oxolan-3-yloxy)pyridin-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=CC(=CN=C4)O[C@@H]5CCOC5

DOS

IR

Vibrations