Geometry & MOs

Info

ID:	73515
PubChem CID:	48418007
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	357.096955
ΔH_f, kcal/mol:	-16.36
Dipole, Da:	4.22
IP(EA), eV:	-8.62(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations