Geometry & MOs

Info

ID:	429971
PubChem CID:	135170026
Reduced:	OSI2N3H5C8 (1)
Stoich.:	ABC2D3E5F8 (1)
Weight, g/mol:	551.02768
ΔH_f, kcal/mol:	47.3
Dipole, Da:	4.94
IP(EA), eV:	-9.4(-2.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations