Geometry & MOs

Info

ID:

320655

PubChem CID:

126662415

Reduced:

ClSF2N2O6H25C33 (1)

Stoich.:

ABC2D2E6F25G33 (1)

Weight, g/mol:

511.063205

ΔHf, kcal/mol:

-218.05

Dipole, Da:

4.45

IP(EA), eV:

 -8.25(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-ol

Drug info:

PubChemData

Smile

CC1C(=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