Geometry & MOs

Info

ID:

320670

PubChem CID:

126662434

Reduced:

ClSF2N2O6H27C33 (1)

Stoich.:

ABC2D2E6F27G33 (1)

Weight, g/mol:

601.094899

ΔHf, kcal/mol:

-232.2

Dipole, Da:

1.75

IP(EA), eV:

 -8.49(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[7-[(2-chloro-6-fluorophenyl)methoxy]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](CC2=C(N1S(=O)(=O)C3=CC(=C(C=C3)F)OC)C=C(C=C2)OCC4=C(C=CC=C4Cl)F)CN5C(=O)C6=CC=CC=C6C5=O

DOS

IR

Vibrations