Geometry & MOs

Info

ID:	67819
PubChem CID:	46507236
Reduced:	ClFSN2O3H8C16 (1)
Stoich.:	ABCD2E3F8G16 (1)
Weight, g/mol:	323.072848
ΔH_f, kcal/mol:	-75.86
Dipole, Da:	9.75
IP(EA), eV:	-9.78(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-phenylethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)C2=CNC3=C(C2=O)C=C(C=C3)Cl)F)C#N

DOS

IR

Vibrations