Geometry & MOs

Info

ID:	427598
PubChem CID:	135160381
Reduced:	SF3N4O4C21H23 (1)
Stoich.:	AB3C4D4E21F23 (1)
Weight, g/mol:	420.148319
ΔH_f, kcal/mol:	-279.71
Dipole, Da:	9.8
IP(EA), eV:	-8.96(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfanyl-2,3-dihydro-1H-inden-2-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@]1(CN(CCN1S(=O)(=O)C2=CC3=C(CCC3C(=O)O)C=C2)C4=NC=C(C=C4)C(F)(F)F)N

DOS

IR

Vibrations