Geometry & MOs

Info

ID:	28327
PubChem CID:	827045
Reduced:	ClOSH9C14 (1)
Stoich.:	ABCD9E14 (1)
Weight, g/mol:	242.040151
ΔH_f, kcal/mol:	7.45
Dipole, Da:	3.35
IP(EA), eV:	-9.01(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-6H-benzo[b][1]benzothiepin-5-one

Drug info:

PubChemData

Smile

C1C2=C(C=CC=C2Cl)SC3=CC=CC=C3C1=O

DOS

IR

Vibrations