Geometry & MOs

Info

ID:	424822
PubChem CID:	135124071
Reduced:	O3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	501.195151
ΔH_f, kcal/mol:	-134.06
Dipole, Da:	1.44
IP(EA), eV:	-9.62(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)OCCC(C)C.C1=COC=C1

DOS

IR

Vibrations