Geometry & MOs

Info

ID:

161292

PubChem CID:

57391275

Reduced:

FSN3O4C21H24 (1)

Stoich.:

ABC3D4E21F24 (1)

Weight, g/mol:

805.22906

ΔHf, kcal/mol:

-141.23

Dipole, Da:

5.73

IP(EA), eV:

 -8.46(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[4-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]oxane-4-carbonyl]piperazin-1-yl]ethyl-trimethylazanium;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)NC3=CC(=C(C=C3)N4C[C@H](O[C@H](C4)C)C)F

DOS

IR

Vibrations