Geometry & MOs

Info

ID:	142716
PubChem CID:	53080637
Reduced:	SO2N6C23H30 (1)
Stoich.:	AB2C6D23E30 (1)
Weight, g/mol:	439.123563
ΔH_f, kcal/mol:	10.12
Dipole, Da:	4.65
IP(EA), eV:	-8.93(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-morpholin-4-ylsulfonyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-one

Drug info:

PubChemData

Smile

CCN1CCCC1CNS(=O)(=O)C2=C(C=CC(=C2)C3=NN=C(C=C3)N4C(=CC(=N4)C)C)C

DOS

IR

Vibrations