Geometry & MOs

Info

ID:	446944
PubChem CID:	135279022
Reduced:	O2N3C25H25 (1)
Stoich.:	A2B3C25D25 (1)
Weight, g/mol:	582.01081
ΔH_f, kcal/mol:	25.43
Dipole, Da:	6.92
IP(EA), eV:	-8.48(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(2,4-difluorophenoxy)-5-(2-methylsulfanylpropan-2-yl)phenyl]-6-methylpyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

C/C=C\C=C(/C)\CN1C2=CC=CC=C2C3=C(C=C(C=C31)C4=C(ON=C4C)C)C(=O)N

DOS

IR

Vibrations