Geometry & MOs

Info

ID:	342627
PubChem CID:	127265787
Reduced:	BrOS2N3H6C11 (1)
Stoich.:	ABC2D3E6F11 (1)
Weight, g/mol:	232.067034
ΔH_f, kcal/mol:	65.89
Dipole, Da:	3.31
IP(EA), eV:	-9.19(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2-benzothiazol-5-yl)-2-methylbut-2-enamide

Drug info:

PubChemData

Smile

C1=C(SC2=C1C(=O)NC(=N2)C=CC3=CN=CS3)Br

DOS

IR

Vibrations