Geometry & MOs

Info

ID:	313530
PubChem CID:	126615409
Reduced:	NSO3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	543.222115
ΔH_f, kcal/mol:	-63.44
Dipole, Da:	3.55
IP(EA), eV:	-7.87(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2,6-dimethylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NSC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations