Geometry & MOs

Info

ID:	427592
PubChem CID:	135160308
Reduced:	SN2O3F4C23H24 (1)
Stoich.:	AB2C3D4E23F24 (1)
Weight, g/mol:	456.113076
ΔH_f, kcal/mol:	-274.16
Dipole, Da:	7.34
IP(EA), eV:	-8.57(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CN(CCN1S(=O)C2=CC3=C(CCC3C(=O)O)C=C2)C4=C(C=C(C=C4)C(F)(F)F)F

DOS

IR

Vibrations