Geometry & MOs

Info

ID:	429854
PubChem CID:	135169907
Reduced:	F3N3O4H14C17 (1)
Stoich.:	A3B3C4D14E17 (1)
Weight, g/mol:	416.97967
ΔH_f, kcal/mol:	-184.93
Dipole, Da:	4.37
IP(EA), eV:	-9.6(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(8-methylquinolin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/N)/C(=NC1=CC=C(C2=CC=CC=C21)[N+](=O)[O-])C(F)(F)F

DOS

IR

Vibrations