Geometry & MOs

Info

ID:	155590
PubChem CID:	56366120
Reduced:	SN3O5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	431.133734
ΔH_f, kcal/mol:	-80.32
Dipole, Da:	4.51
IP(EA), eV:	-9.56(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations