Geometry & MOs

Info

ID:	28351
PubChem CID:	827163
Reduced:	ClFOSH8C13 (1)
Stoich.:	ABCDE8F13 (1)
Weight, g/mol:	339.165686
ΔH_f, kcal/mol:	-41.49
Dipole, Da:	1.39
IP(EA), eV:	-8.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(6R)-6H-benzo[c][1,5]benzoxathiepin-6-yl]propyl]piperidine

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)Cl)SC3=C(O1)C=CC(=C3)F

DOS

IR

Vibrations