Geometry & MOs

Info

ID:

85521

PubChem CID:

49876346

Reduced:

ClSF3N3O4H24C25 (1)

Stoich.:

ABC3D3E4F24G25 (1)

Weight, g/mol:

238.027096

ΔHf, kcal/mol:

-174.81

Dipole, Da:

5.96

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.985427

Charge, e:

 -1

Chem-info

IUPAC name:

2-quinolin-8-yloxyacetic acid;chloride

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F.[Cl-]

DOS

IR

Vibrations