Geometry & MOs

Info

ID:	445395
PubChem CID:	135266802
Reduced:	SN6C8H20 (1)
Stoich.:	AB6C8D20 (1)
Weight, g/mol:	444.95057
ΔH_f, kcal/mol:	69.84
Dipole, Da:	4.89
IP(EA), eV:	-7.83(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-fluoro-2-iodo-1,3-benzodioxol-4-yl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C/C(=C(\NC)/SC)/N(C)NN/C=N/CN

DOS

IR

Vibrations