Geometry & MOs

Info

ID:	56366
PubChem CID:	17425189
Reduced:	O2N4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	246.082684
ΔH_f, kcal/mol:	-80.44
Dipole, Da:	7.36
IP(EA), eV:	-8.86(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzothiazol-2-yl)-N-propylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)C(=O)N)C

DOS

IR

Vibrations