Geometry & MOs

Info

ID:	73472
PubChem CID:	48417831
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	365.156184
ΔH_f, kcal/mol:	-9.23
Dipole, Da:	3.02
IP(EA), eV:	-8.61(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations