Geometry & MOs

Info

ID:	195385
PubChem CID:	78680014
Reduced:	ON3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	359.049526
ΔH_f, kcal/mol:	25.08
Dipole, Da:	7.87
IP(EA), eV:	-8.96(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)ethylideneamino]-2-(4-chlorophenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C=NN2C(=CC(=C(C2=O)C#N)C)C)C

DOS

IR

Vibrations