Geometry & MOs

Info

ID:	427586
PubChem CID:	135160249
Reduced:	SF3N3O3C20H20 (1)
Stoich.:	AB3C3D3E20F20 (1)
Weight, g/mol:	453.133397
ΔH_f, kcal/mol:	-219.23
Dipole, Da:	8.0
IP(EA), eV:	-8.93(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfinyl-2,3-dihydro-1H-indene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=C(C1C(=O)O)C=C(C=C2)S(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations