Geometry & MOs

Info

ID:	429885
PubChem CID:	135169939
Reduced:	F3N3C15H16 (1)
Stoich.:	A3B3C15D16 (1)
Weight, g/mol:	650.09609
ΔH_f, kcal/mol:	-81.72
Dipole, Da:	4.94
IP(EA), eV:	-8.76(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-(oxan-4-ylmethylamino)quinolin-6-yl]-5-(pyridin-3-ylmethylcarbamoyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CC=NC1=C(C=CC=C1N=C(/C(=C\N)/C=C)C(F)(F)F)C

DOS

IR

Vibrations