Geometry & MOs

Info

ID:	429786
PubChem CID:	135169838
Reduced:	ClO2F3N9H21C23 (1)
Stoich.:	AB2C3D9E21F23 (1)
Weight, g/mol:	477.97606
ΔH_f, kcal/mol:	-73.65
Dipole, Da:	10.09
IP(EA), eV:	-9.1(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1N2C(=C(C=N2)C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)Cl)C(F)(F)F)N5CC[C@H](C5)O)C

DOS

IR

Vibrations