Geometry & MOs

Info

ID:	429841
PubChem CID:	135169894
Reduced:	ON5H9C14 (1)
Stoich.:	AB5C9D14 (1)
Weight, g/mol:	555.00261
ΔH_f, kcal/mol:	96.53
Dipole, Da:	5.21
IP(EA), eV:	-9.83(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC=N2)C(=C1)N3C(=C(C=N3)C(=O)N)C#N

DOS

IR

Vibrations