Geometry & MOs

Info

ID:	19153
PubChem CID:	555646
Reduced:	SN3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	293.098669
ΔH_f, kcal/mol:	112.66
Dipole, Da:	3.17
IP(EA), eV:	-8.58(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-phenylbut-3-en-2-ylideneamino)-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CC(=NNC1=NC2=CC=CC=C2S1)C=CC3=CC=CC=C3

DOS

IR

Vibrations