Geometry & MOs

Info

ID:	73514
PubChem CID:	48417992
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	-57.1
Dipole, Da:	3.4
IP(EA), eV:	-8.51(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3)OC

DOS

IR

Vibrations