Geometry & MOs

Info

ID:	429956
PubChem CID:	135170011
Reduced:	OPF2N9C24H24 (1)
Stoich.:	ABC2D9E24F24 (1)
Weight, g/mol:	489.99604
ΔH_f, kcal/mol:	31.31
Dipole, Da:	6.27
IP(EA), eV:	-8.86(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=NC1=CN=C(C2=CC=CC=C21)CCN)/C(=C\N)/C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)P)(F)F

DOS

IR

Vibrations