Geometry & MOs

Info

ID:	73496
PubChem CID:	48417923
Reduced:	OSN3C22H25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	397.128255
ΔH_f, kcal/mol:	3.53
Dipole, Da:	2.65
IP(EA), eV:	-8.71(-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-(2-methylphenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations