Geometry & MOs

Info

ID:	73504
PubChem CID:	48417942
Reduced:	OSN3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	408.161997
ΔH_f, kcal/mol:	-25.53
Dipole, Da:	2.49
IP(EA), eV:	-8.62(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]-2-oxoethyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations