Geometry & MOs

Info

ID:	429872
PubChem CID:	135169926
Reduced:	F3N6H13C20 (1)
Stoich.:	A3B6C13D20 (1)
Weight, g/mol:	540.05931
ΔH_f, kcal/mol:	11.49
Dipole, Da:	9.56
IP(EA), eV:	-9.43(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-cyano-4-[(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=NC=C2N3C(=C(C=N3)CNC4=CC(=NC=C4)C#N)C(F)(F)F

DOS

IR

Vibrations