Geometry & MOs

Info

ID:	196453
PubChem CID:	78830750
Reduced:	SO3C11H16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	280.078268
ΔH_f, kcal/mol:	-122.55
Dipole, Da:	3.38
IP(EA), eV:	-9.12(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(1,3-benzothiazol-2-yl)ethylamino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1=C(C=C(S1)C(=O)OCCOC)C

DOS

IR

Vibrations