Geometry & MOs

Info

ID:	427583
PubChem CID:	135160218
Reduced:	SCl2N2O3C20H20 (1)
Stoich.:	AB2C2D3E20F20 (1)
Weight, g/mol:	440.138148
ΔH_f, kcal/mol:	-74.48
Dipole, Da:	5.33
IP(EA), eV:	-8.25(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-methyl-2,3-dihydro-1H-inden-5-yl)sulfonyl]-4-[4-(trifluoromethoxy)phenyl]piperazine

Drug info:

PubChemData

Smile

C1CC2=C(C1C(=O)O)C=C(C=C2)S(=O)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations