Geometry & MOs

Info

ID:	412830
PubChem CID:	135085759
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	288.963413
ΔH_f, kcal/mol:	-76.02
Dipole, Da:	2.78
IP(EA), eV:	-10.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-1,3-benzothiazol-2-yl)sulfonyl]propan-2-one

Drug info:

PubChemData

Smile

CCCCCCC/C=C(\C#N)/C(=O)OC

DOS

IR

Vibrations