Geometry & MOs

Info

ID:	427588
PubChem CID:	135160269
Reduced:	OSF3N3C22H24 (1)
Stoich.:	ABC3D3E22F24 (1)
Weight, g/mol:	481.164697
ΔH_f, kcal/mol:	-123.88
Dipole, Da:	4.16
IP(EA), eV:	-8.44(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]sulfinyl-2,3-dihydro-1H-indene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1C(=O)C#N)C=C(CC2)CCN(CNS)C3=CC=C(C=C3)CC(F)(F)F

DOS

IR

Vibrations