Geometry & MOs

Info

ID:	52687
PubChem CID:	12015689
Reduced:	NC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	240.020478
ΔH_f, kcal/mol:	20.32
Dipole, Da:	2.97
IP(EA), eV:	-8.7(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-6-nitro-1-oxo-1,2-benzothiazol-3-one

Drug info:

PubChemData

Smile

CC(C)N1CCNC2=CC=CC=C2C1

DOS

IR

Vibrations