Geometry & MOs

Info

ID:	446917
PubChem CID:	135278767
Reduced:	SN2O4C23H28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	470.00959
ΔH_f, kcal/mol:	-82.24
Dipole, Da:	11.28
IP(EA), eV:	-8.37(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCC(CC1)OC2=C(C=C(C=C2)S(=O)(=O)C)C3=C4C=CN=C4N(C(=C3)C)O

DOS

IR

Vibrations