Geometry & MOs

Info

ID:	157442
PubChem CID:	56424146
Reduced:	F3O3N4C21H21 (1)
Stoich.:	A3B3C4D21E21 (1)
Weight, g/mol:	328.160935
ΔH_f, kcal/mol:	-245.02
Dipole, Da:	4.04
IP(EA), eV:	-9.81(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=NC2=C(C=C1)C(=O)N(C(=O)N2C)C)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations