Geometry & MOs

Info

ID:	73486
PubChem CID:	48417883
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-21.41
Dipole, Da:	3.22
IP(EA), eV:	-8.54(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCN(CC1)C2=NC3=CC=CC=C3S2)OC4=CC=CC=C4

DOS

IR

Vibrations