Geometry & MOs

Info

ID:	427591
PubChem CID:	135160298
Reduced:	SN2O2F3C23H25 (1)
Stoich.:	AB2C2D3E23F25 (1)
Weight, g/mol:	484.144376
ΔH_f, kcal/mol:	-212.08
Dipole, Da:	8.8
IP(EA), eV:	-8.56(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(N1SC2=CC3=C(CCC3C(=O)O)C=C2)C)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations