Geometry & MOs

Info

ID:	429846
PubChem CID:	135169899
Reduced:	OPF2N9H22C24 (1)
Stoich.:	ABC2D9E22F24 (1)
Weight, g/mol:	497.98114
ΔH_f, kcal/mol:	49.97
Dipole, Da:	10.3
IP(EA), eV:	-8.79(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=NC1=CC(=NC2=CC=CC=C21)C(=C)N)/C(=C\N)/C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)P)(F)F

DOS

IR

Vibrations