Geometry & MOs

Info

ID:	398721
PubChem CID:	135035068
Reduced:	ClON2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	256.055801
ΔH_f, kcal/mol:	4.0
Dipole, Da:	2.01
IP(EA), eV:	-8.57(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,8,12-trimethyl-2-thiatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8-pentaene-10,11-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)/C(=C/C(=CN)Cl)/C(=O)N2

DOS

IR

Vibrations