Geometry & MOs

Info

ID:	429855
PubChem CID:	135169908
Reduced:	ISN3H12C17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	530.02734
ΔH_f, kcal/mol:	112.43
Dipole, Da:	3.73
IP(EA), eV:	-8.97(-2.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1N=CC=C2)C3=CN(C4=C3C=CC=N4)SI

DOS

IR

Vibrations