Geometry & MOs

Info

ID:	73500
PubChem CID:	48417929
Reduced:	SO2N3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	362.120132
ΔH_f, kcal/mol:	-25.68
Dipole, Da:	3.36
IP(EA), eV:	-8.61(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-cyanobenzamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)OCC(=O)NC3CCN(CC3)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations