Geometry & MOs

Info

ID:	408800
PubChem CID:	135081568
Reduced:	N2O2S2C5H6 (1)
Stoich.:	A2B2C2D5E6 (1)
Weight, g/mol:	169.052764
ΔH_f, kcal/mol:	-55.26
Dipole, Da:	1.85
IP(EA), eV:	-9.34(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,7,9-pentaen-6-one

Drug info:

PubChemData

Smile

CCSC1=NC2=S(O1)OC=N2

DOS

IR

Vibrations