Geometry & MOs

Info

ID:	429974
PubChem CID:	135170029
Reduced:	ISO3N6H23C24 (1)
Stoich.:	ABC3D6E23F24 (1)
Weight, g/mol:	588.04406
ΔH_f, kcal/mol:	-5.97
Dipole, Da:	4.68
IP(EA), eV:	-8.97(-2.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-[(1-acetylpiperidin-4-yl)amino]-3-nitroquinolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CC(=O)NC1=CN=C2C=CC(=CC2=C1N3CCOCC3)C4=CN(C5=C4C=C(C=N5)C(=O)NC)SI

DOS

IR

Vibrations