Geometry & MOs

Info

ID:	28350
PubChem CID:	827146
Reduced:	NSC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	265.996842
ΔH_f, kcal/mol:	43.42
Dipole, Da:	2.79
IP(EA), eV:	-8.44(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-2-fluoro-6H-benzo[c][1,5]benzoxathiepine

Drug info:

PubChemData

Smile

CN(C)CCC1=CC=CC=C1SC2=CC=CC=C2

DOS

IR

Vibrations