Geometry & MOs

Info

ID:	28222
PubChem CID:	826390
Reduced:	SN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	286.082764
ΔH_f, kcal/mol:	-103.31
Dipole, Da:	4.44
IP(EA), eV:	-8.37(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SC)O

DOS

IR

Vibrations