Geometry & MOs

Info

ID:

178133

PubChem CID:

76282521

Reduced:

FSN5O5H34C35 (1)

Stoich.:

ABC5D5E34F35 (1)

Weight, g/mol:

695.250375

ΔHf, kcal/mol:

-153.51

Dipole, Da:

6.27

IP(EA), eV:

 -8.75(-1.79)

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-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)/C(=C/NC3=CC(=C(C=C3)SC4=C5C=C(C(=CC5=NC=C4)OCCCN6CCCC6)OC)F)/C(=O)NC2=O

DOS

IR

Vibrations