Geometry & MOs

Info

ID:	73474
PubChem CID:	48417834
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	365.156184
ΔH_f, kcal/mol:	-34.24
Dipole, Da:	3.23
IP(EA), eV:	-8.5(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3)OC

DOS

IR

Vibrations