Geometry & MOs

Info

ID:	73484
PubChem CID:	48417879
Reduced:	OSN4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	417.151098
ΔH_f, kcal/mol:	21.9
Dipole, Da:	1.05
IP(EA), eV:	-8.7(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-naphthalen-2-yloxyacetamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)CCC2=CN=CC=C2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations