Geometry & MOs

Info

ID:	429869
PubChem CID:	135169922
Reduced:	OF2N10H18C22 (1)
Stoich.:	AB2C10D18E22 (1)
Weight, g/mol:	511.93708
ΔH_f, kcal/mol:	60.02
Dipole, Da:	7.5
IP(EA), eV:	-9.45(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C2=NN=NN2C)NC(=O)C3=C(N(N=C3)C4=CC=CC5=C4C=CC=N5)C(N)(F)F

DOS

IR

Vibrations