Geometry & MOs

Info

ID:	429946
PubChem CID:	135170001
Reduced:	SF3N11H14C19 (1)
Stoich.:	AB3C11D14E19 (1)
Weight, g/mol:	436.92504
ΔH_f, kcal/mol:	126.94
Dipole, Da:	7.64
IP(EA), eV:	-8.45(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C(/C(=C/N)/C(=N/C1=C2C(=NC=N1)SC=N2)/C(F)(F)F)NC3=CC(=CN(N=C3)/N=C\C=N)C#N

DOS

IR

Vibrations