Geometry & MOs

Info

ID:	66044
PubChem CID:	46488309
Reduced:	IO2N4H15C21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	323.072848
ΔH_f, kcal/mol:	39.22
Dipole, Da:	5.15
IP(EA), eV:	-8.73(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC4=CC=CC=C4N3)I

DOS

IR

Vibrations