Geometry & MOs

Info

ID:	194269
PubChem CID:	78506617
Reduced:	BrOSN3H12C14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	379.171834
ΔH_f, kcal/mol:	54.54
Dipole, Da:	3.44
IP(EA), eV:	-9.7(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CCC1=NC(=NC(=O)C1C#N)SCC2=CC(=CC=C2)Br

DOS

IR

Vibrations