Geometry & MOs

Info

ID:	427590
PubChem CID:	135160290
Reduced:	SN2F3O3C22H23 (1)
Stoich.:	AB2C3D3E22F23 (1)
Weight, g/mol:	450.158884
ΔH_f, kcal/mol:	-232.33
Dipole, Da:	7.43
IP(EA), eV:	-8.77(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)C(F)(F)F)S(=O)C3=CC=CC4=C3CC(C4)CC(=O)O

DOS

IR

Vibrations