Geometry & MOs

Info

ID:	429302
PubChem CID:	135169271
Reduced:	IOSN3C13H14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	554.00736
ΔH_f, kcal/mol:	37.34
Dipole, Da:	5.56
IP(EA), eV:	-9.12(-2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C2=C1C=C(C=N2)C(=O)N(C)CC=C)SI

DOS

IR

Vibrations