Geometry & MOs

Info

ID:	429951
PubChem CID:	135170006
Reduced:	ClISO2N6H26C29 (1)
Stoich.:	ABCD2E6F26G29 (1)
Weight, g/mol:	537.98912
ΔH_f, kcal/mol:	60.39
Dipole, Da:	3.06
IP(EA), eV:	-8.55(-2.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-chloro-8-fluoroquinolin-6-yl)-5-[[methyl(prop-2-enyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CNC(=O)C1=CC2=C(N=C1)N(C=C2C3=CC4=C(C(=CN=C4C=C3)NCC5=CC(=CC=C5)Cl)N6CCOCC6)SI

DOS

IR

Vibrations