Geometry & MOs

Info

ID:	442298
PubChem CID:	135251116
Reduced:	ClNSF4O6H18C24 (1)
Stoich.:	ABCD4E6F18G24 (1)
Weight, g/mol:	354.163123
ΔH_f, kcal/mol:	-386.69
Dipole, Da:	7.29
IP(EA), eV:	-8.56(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[1-(1,1,4,4-tetramethyl-3H-isochromen-6-yl)ethenyl]benzoic acid

Drug info:

PubChemData

Smile

C1[C@@H](OC2=C(N1S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C=C(C=C2)OCC4=C(C=CC=C4Cl)F)CC(=O)O

DOS

IR

Vibrations