Geometry & MOs

Info

ID:	429794
PubChem CID:	135169846
Reduced:	ClOF3N7H17C24 (1)
Stoich.:	ABC3D7E17F24 (1)
Weight, g/mol:	454.91562
ΔH_f, kcal/mol:	-7.28
Dipole, Da:	9.51
IP(EA), eV:	-8.9(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C(/C(=C/N)/C(=NC1=CC=CC2=C1C=CC=N2)C(F)(F)F)NC3=CC(=C(N=C3)N4C=C(C=N4)C=O)Cl

DOS

IR

Vibrations