Geometry & MOs

Info

ID:	429827
PubChem CID:	135169880
Reduced:	OH3N3C4 (2)
Stoich.:	AB3C3D4 (2)
Weight, g/mol:	560.04914
ΔH_f, kcal/mol:	128.96
Dipole, Da:	7.72
IP(EA), eV:	-9.48(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C=NN(N1)C2=C(C=C(C=N2)[N+](=O)[O-])C#N

DOS

IR

Vibrations