Geometry & MOs

Info

ID:	68185
PubChem CID:	46507925
Reduced:	OSN3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	307.077933
ΔH_f, kcal/mol:	52.33
Dipole, Da:	5.01
IP(EA), eV:	-8.96(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-11-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaen-6-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=N2)CC(=S)N

DOS

IR

Vibrations