Geometry & MOs

Info

ID:	429831
PubChem CID:	135169884
Reduced:	SI2N2O2H4C8 (1)
Stoich.:	AB2C2D2E4F8 (1)
Weight, g/mol:	518.00736
ΔH_f, kcal/mol:	8.06
Dipole, Da:	5.2
IP(EA), eV:	-9.57(-3.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(8-fluoroquinolin-6-yl)-5-[methyl(prop-2-enyl)carbamoyl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

C1=C(C=NC2=C1C(=CN2SI)I)C(=O)O

DOS

IR

Vibrations