Geometry & MOs

Info

ID:	28325
PubChem CID:	827041
Reduced:	NOSH11C14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	286.066365
ΔH_f, kcal/mol:	13.33
Dipole, Da:	2.56
IP(EA), eV:	-8.4(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethoxy-6H-benzo[b][1]benzothiepin-5-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations