Geometry & MOs

Info

ID:	28326
PubChem CID:	827042
Reduced:	SO3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	260.006264
ΔH_f, kcal/mol:	-61.43
Dipole, Da:	1.97
IP(EA), eV:	-8.56(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5H-benzo[b][1]benzothiepin-6-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)CC3=CC=CC=C3S2)OC

DOS

IR

Vibrations