Geometry & MOs

Info

ID:	73511
PubChem CID:	48417978
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	416.03064
ΔH_f, kcal/mol:	-25.27
Dipole, Da:	4.01
IP(EA), eV:	-8.51(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations