Geometry & MOs

Info

ID:	409980
PubChem CID:	135082767
Reduced:	N2H14C23 (1)
Stoich.:	A2B14C23 (1)
Weight, g/mol:	305.05105
ΔH_f, kcal/mol:	204.69
Dipole, Da:	4.97
IP(EA), eV:	-8.49(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)benzo[f][1,2]benzothiazole-4,9-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC2=C(C=C(C=C2)C#CC3=CC=C(C=C3)C#N)N

DOS

IR

Vibrations