Geometry & MOs

Info

ID:	379594
PubChem CID:	134448472
Reduced:	FIO2S2N3H11C15 (1)
Stoich.:	ABC2D2E3F11G15 (1)
Weight, g/mol:	503.99508
ΔH_f, kcal/mol:	79.56
Dipole, Da:	4.49
IP(EA), eV:	-8.71(-2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(E)-2-cyano-3-(methylamino)prop-2-enoyl]-6-(3-fluoropropylsulfanylamino)-5-methylindol-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

C=C(C#N)C(=O)C1=CC2=CC(=C(C=C2N1SI)NSC3CC3)OF

DOS

IR

Vibrations