Geometry & MOs

Info

ID:	429775
PubChem CID:	135169827
Reduced:	ISN2H5C7 (1)
Stoich.:	ABC2D5E7 (1)
Weight, g/mol:	587.96838
ΔH_f, kcal/mol:	71.86
Dipole, Da:	3.36
IP(EA), eV:	-9.08(-2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)N(C=C2)SI

DOS

IR

Vibrations