Geometry & MOs

Info

ID:

178134

PubChem CID:

76282522

Reduced:

FN7O7H34C36 (1)

Stoich.:

AB7C7D34E36 (1)

Weight, g/mol:

746.286426

ΔHf, kcal/mol:

-183.33

Dipole, Da:

3.69

IP(EA), eV:

 -8.82(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E)-5-[[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyanilino]methylidene]-1-(4-methylphenyl)-3-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CN1C=CC2=C(C=CN=C21)N3C(=O)/C(=C/NC4=CC(=C(C=C4)OC5=C6C=C(C(=CC6=NC=C5)OCCCN7CCOCC7)OC)F)/C(=O)NC3=O

DOS

IR

Vibrations