Geometry & MOs

Info

ID:	429797
PubChem CID:	135169849
Reduced:	ClN6C10H11 (1)
Stoich.:	AB6C10D11 (1)
Weight, g/mol:	533.97781
ΔH_f, kcal/mol:	87.5
Dipole, Da:	4.97
IP(EA), eV:	-8.61(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(8-chloroquinolin-6-yl)-5-[methyl(prop-2-enyl)carbamoyl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

C1=CN=CC(=C1N(C2=C(C=C(C=N2)N)Cl)N)N

DOS

IR

Vibrations