Geometry & MOs

Info

ID:

375673

PubChem CID:

134220745

Reduced:

F3N4O6C45H45 (1)

Stoich.:

A3B4C6D45E45 (1)

Weight, g/mol:

396.08116

ΔHf, kcal/mol:

-188.62

Dipole, Da:

6.85

IP(EA), eV:

 -9.25(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[8-(benzotriazol-1-yl)-5-chloro-1-methyl-4-methylidene-2-methylsulfanylquinolin-3-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2C(OC(C(C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=NC5=CC=CC=C5)C(F)(F)F)COCCC6=CC=C(C=C6)CCN=[N+]=[N-]

DOS

IR

Vibrations