Geometry & MOs

Info

ID:	28218
PubChem CID:	826368
Reduced:	BrOSC17H17 (1)
Stoich.:	ABCD17E17 (1)
Weight, g/mol:	286.082764
ΔH_f, kcal/mol:	-16.01
Dipole, Da:	3.22
IP(EA), eV:	-8.63(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-8-propan-2-yl-5H-benzo[b][1]benzothiepin-6-one

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)SC3=C(C[C@@H]2O)C=C(C=C3)Br

DOS

IR

Vibrations