Geometry & MOs

Info

ID:	429972
PubChem CID:	135170027
Reduced:	IOSN5H18C24 (1)
Stoich.:	ABCD5E18F24 (1)
Weight, g/mol:	511.93708
ΔH_f, kcal/mol:	104.85
Dipole, Da:	4.99
IP(EA), eV:	-8.94(-2.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-acetamido-3-(4-chloro-8-fluoroquinolin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C(C=CN=C12)C3=CN=CC=C3)C4=CN(C5=C4C=C(C=N5)C(=O)NC)SI

DOS

IR

Vibrations