Geometry & MOs

Info

ID:	73509
PubChem CID:	48417973
Reduced:	OSN3C18H25 (1)
Stoich.:	ABC3D18E25 (1)
Weight, g/mol:	397.128255
ΔH_f, kcal/mol:	-30.42
Dipole, Da:	2.77
IP(EA), eV:	-8.6(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCC(=O)NC1CCN(CC1)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations