Geometry & MOs

Info

ID:	427580
PubChem CID:	135160211
Reduced:	SN2O2F4H20C21 (1)
Stoich.:	AB2C2D4E20F21 (1)
Weight, g/mol:	484.144376
ΔH_f, kcal/mol:	-244.86
Dipole, Da:	7.79
IP(EA), eV:	-8.98(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-2,6-dimethylpiperazin-1-yl]sulfinyl-2,3-dihydro-1H-indene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=C(C1C(=O)O)C=C(C=C2)SN3CCN(CC3)C4=CC(=C(C=C4)C(F)(F)F)F

DOS

IR

Vibrations