Geometry & MOs

Info

ID:	73528
PubChem CID:	48418058
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	397.128255
ΔH_f, kcal/mol:	-70.34
Dipole, Da:	0.44
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1CCN(CC1)C2=NC3=CC=CC=C3S2)NC(=O)C

DOS

IR

Vibrations