Geometry & MOs

Info

ID:	429964
PubChem CID:	135170019
Reduced:	ClF3N8H18C23 (1)
Stoich.:	AB3C8D18E23 (1)
Weight, g/mol:	552.02293
ΔH_f, kcal/mol:	39.21
Dipole, Da:	4.54
IP(EA), eV:	-8.24(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-aminoquinolin-6-yl)-5-(pyridin-3-ylmethylcarbamoyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

C=C1C=C(C2=CC=CC=C2N1)N=C(/C(=C\N)/C(=C)NC3=CC(=C(N=C3)N4N=CC=N4)Cl)C(F)(F)F

DOS

IR

Vibrations