Geometry & MOs

Info

ID:	73513
PubChem CID:	48417990
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-51.17
Dipole, Da:	6.84
IP(EA), eV:	-8.44(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations