Geometry & MOs

Info

ID:	73491
PubChem CID:	48417899
Reduced:	SN3O3H19C22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	351.140533
ΔH_f, kcal/mol:	-39.54
Dipole, Da:	5.9
IP(EA), eV:	-8.44(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CC3=CC=CC=C3OC2=O)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations