Geometry & MOs

Info

ID:	429777
PubChem CID:	135169829
Reduced:	OSF3N9H10C20 (1)
Stoich.:	ABC3D9E10F20 (1)
Weight, g/mol:	553.00694
ΔH_f, kcal/mol:	87.7
Dipole, Da:	8.62
IP(EA), eV:	-9.63(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-carbamoyl-3-(8-methoxy-4-pyridin-3-ylquinolin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

C1=CN=C2C=CS3(C2=C1N4C(=C(C=N4)C(=O)NC5=CC(=C(N=C5)N6N=CC=N6)C#N)C3(F)F)F

DOS

IR

Vibrations