Geometry & MOs

Info

ID:	157225
PubChem CID:	56422419
Reduced:	SN2O6C21H30 (1)
Stoich.:	AB2C6D21E30 (1)
Weight, g/mol:	374.166414
ΔH_f, kcal/mol:	-245.75
Dipole, Da:	3.45
IP(EA), eV:	-8.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzothiazol-2-yl)-1-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCCCC3C4OCCO4

DOS

IR

Vibrations