Geometry & MOs

Info

ID:	427582
PubChem CID:	135160217
Reduced:	SF3N3O3C22H22 (1)
Stoich.:	AB3C3D3E22F22 (1)
Weight, g/mol:	438.057169
ΔH_f, kcal/mol:	-201.02
Dipole, Da:	7.15
IP(EA), eV:	-8.35(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3,4-dichlorophenyl)piperazin-1-yl]sulfinyl-2,3-dihydro-1H-indene-1-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)CN1C=CC2=C1C=C(C=C2)S(=O)N3CCN(CC3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations