Geometry & MOs

Info

ID:	427589
PubChem CID:	135160270
Reduced:	SF3N3O3C23H26 (1)
Stoich.:	AB3C3D3E23F26 (1)
Weight, g/mol:	452.138148
ΔH_f, kcal/mol:	-235.78
Dipole, Da:	9.27
IP(EA), eV:	-8.06(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfinyl-2,3-dihydro-1H-inden-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC1CN(CC(N1S(=O)C2=CC=CC3=C2CC(C3)C(=O)N)C)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations