Geometry & MOs

Info

ID:	429939
PubChem CID:	135169994
Reduced:	F3N7C26H30 (1)
Stoich.:	A3B7C26D30 (1)
Weight, g/mol:	436.92504
ΔH_f, kcal/mol:	-35.21
Dipole, Da:	2.65
IP(EA), eV:	-8.33(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=C)/C(=C/N)/C(=NC2=CCCC3=C2C=CC=N3)C(F)(F)F)NCC(CN)C=N

DOS

IR

Vibrations