Geometry & MOs

Info

ID:	429861
PubChem CID:	135169914
Reduced:	ClIOSN4H14C19 (1)
Stoich.:	ABCDE4F14G19 (1)
Weight, g/mol:	478.99532
ΔH_f, kcal/mol:	61.4
Dipole, Da:	2.63
IP(EA), eV:	-9.11(-2.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C(C=CN=C12)Cl)C3=CN(C4=C3C=C(C=N4)C(=O)NC)SI

DOS

IR

Vibrations