Geometry & MOs

Info

ID:	73479
PubChem CID:	48417859
Reduced:	OSN4C23H24 (1)
Stoich.:	ABC4D23E24 (1)
Weight, g/mol:	390.118418
ΔH_f, kcal/mol:	33.44
Dipole, Da:	3.24
IP(EA), eV:	-8.48(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)CCN2C=CC3=CC=CC=C32)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations