Geometry & MOs

Info

ID:	31766
PubChem CID:	3718017
Reduced:	OSN7C17H21 (1)
Stoich.:	ABC7D17E21 (1)
Weight, g/mol:	286.054277
ΔH_f, kcal/mol:	71.5
Dipole, Da:	2.03
IP(EA), eV:	-9.27(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)NC2CCCC2)CN3C4=CC=CC=C4N=N3

DOS

IR

Vibrations