Geometry & MOs

Info

ID:	429327
PubChem CID:	135169296
Reduced:	N2H8C11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	459.98548
ΔH_f, kcal/mol:	125.82
Dipole, Da:	2.32
IP(EA), eV:	-8.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(methylcarbamoyl)-3-quinolin-6-ylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CC1=CC2=C(NC=C2C3=CC4=C(C=CN=C4C=C3)C5=CN=CC=C5)N=C1

DOS

IR

Vibrations