Geometry & MOs

Info

ID:	30556
PubChem CID:	841489
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	326.108899
ΔH_f, kcal/mol:	-125.97
Dipole, Da:	4.89
IP(EA), eV:	-9.07(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCCCC3

DOS

IR

Vibrations