Geometry & MOs

Info

ID:	429952
PubChem CID:	135170007
Reduced:	ClFISN4H17C21 (1)
Stoich.:	ABCDE4F17G21 (1)
Weight, g/mol:	450.94069
ΔH_f, kcal/mol:	84.35
Dipole, Da:	4.48
IP(EA), eV:	-9.16(-2.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC=C)CC1=CC2=C(N=C1)N(C=C2C3=CC4=C(C=CN=C4C(=C3)F)Cl)SI

DOS

IR

Vibrations