Geometry & MOs

Info

ID:	429943
PubChem CID:	135169998
Reduced:	O2F3N9H14C21 (1)
Stoich.:	A2B3C9D14E21 (1)
Weight, g/mol:	569.97781
ΔH_f, kcal/mol:	-2.62
Dipole, Da:	6.71
IP(EA), eV:	-8.61(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C(=CC=C2)N3C(=C(C=N3)C(=O)NC4=CC(=C(N=C4)N5NCC=N5)C#N)C(F)(F)F

DOS

IR

Vibrations