Geometry & MOs

Info

ID:	73473
PubChem CID:	48417833
Reduced:	OSN3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	6.73
Dipole, Da:	1.82
IP(EA), eV:	-8.64(-0.48)
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-methoxy-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations