Geometry & MOs

Info

ID:	226811
PubChem CID:	87558449
Reduced:	OSF3N6C11H15 (1)
Stoich.:	ABC3D6E11F15 (1)
Weight, g/mol:	216.006743
ΔH_f, kcal/mol:	-129.37
Dipole, Da:	6.57
IP(EA), eV:	-8.99(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzo[g][1,2]benzodithiine

Drug info:

PubChemData

Smile

CC1=CC(=NN1NC(=O)N2CCN(CC2)C(=S)N)C(F)(F)F

DOS

IR

Vibrations