Geometry & MOs

Info

ID:	429968
PubChem CID:	135170023
Reduced:	OSI2N3H11C15 (1)
Stoich.:	ABC2D3E11F15 (1)
Weight, g/mol:	545.03824
ΔH_f, kcal/mol:	71.83
Dipole, Da:	4.84
IP(EA), eV:	-9.38(-2.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(methylcarbamoyl)-3-(4-morpholin-4-ylquinolin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(N=C2)N(C=C3I)SI

DOS

IR

Vibrations