Geometry & MOs

Info

ID:	429769
PubChem CID:	135169821
Reduced:	ClOSF3N9H15C20 (1)
Stoich.:	ABCD3E9F15G20 (1)
Weight, g/mol:	493.94651
ΔH_f, kcal/mol:	-0.74
Dipole, Da:	7.51
IP(EA), eV:	-8.68(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=N\N(C1=C(C=C(C=N1)NC(=O)C2=C(N(N=C2)C3=CC=CC4=C3SC(=N4)N)C(F)(F)F)Cl)N=C

DOS

IR

Vibrations