Geometry & MOs

Info

ID:	73527
PubChem CID:	48418057
Reduced:	OSN6C21H22 (1)
Stoich.:	ABC6D21E22 (1)
Weight, g/mol:	374.177647
ΔH_f, kcal/mol:	71.98
Dipole, Da:	5.34
IP(EA), eV:	-8.7(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)NC3CCN(CC3)C4=NC5=CC=CC=C5S4)N=N1

DOS

IR

Vibrations