Geometry & MOs

Info

ID:	429954
PubChem CID:	135170009
Reduced:	ClOF3N8H18C23 (1)
Stoich.:	ABC3D8E18F23 (1)
Weight, g/mol:	494.00621
ΔH_f, kcal/mol:	-31.28
Dipole, Da:	9.29
IP(EA), eV:	-8.87(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)C2=C(N(N=C2)C3=CNC(C4=CC=CC=C43)N)C(F)(F)F)Cl)N5N=CC=N5

DOS

IR

Vibrations