Geometry & MOs

Info

ID:	28328
PubChem CID:	827046
Reduced:	SO2H10C14 (1)
Stoich.:	AB2C10D14 (1)
Weight, g/mol:	283.0667
ΔH_f, kcal/mol:	-28.47
Dipole, Da:	1.36
IP(EA), eV:	-8.72(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-oxo-6H-benzo[b][1]benzothiepin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2SC3=C(C1=O)C=C(C=C3)O

DOS

IR

Vibrations