Geometry & MOs

Info

ID:	73532
PubChem CID:	48418062
Reduced:	SO2N5H21C22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	371.112605
ΔH_f, kcal/mol:	5.42
Dipole, Da:	2.54
IP(EA), eV:	-8.67(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-4,5-dimethylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)CC2=NNC(=O)C3=CC=CC=C32)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations