Geometry & MOs

Info

ID:	429944
PubChem CID:	135169999
Reduced:	ClIOSN4H16C24 (1)
Stoich.:	ABCDE4F16G24 (1)
Weight, g/mol:	537.01203
ΔH_f, kcal/mol:	97.58
Dipole, Da:	2.53
IP(EA), eV:	-9.2(-2.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(N=C2)N(C=C3C4=CC(=C5C(=C4)C=CC=N5)Cl)SI

DOS

IR

Vibrations