Geometry & MOs

Info

ID:	228336
PubChem CID:	87563997
Reduced:	ClNSF3O6H13C14 (1)
Stoich.:	ABCD3E6F13G14 (1)
Weight, g/mol:	398.06299
ΔH_f, kcal/mol:	-367.71
Dipole, Da:	8.65
IP(EA), eV:	-10.12(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-3-benzyl-6-[1-(2-bromophenyl)ethylidene]-3-methylpiperazine-2,5-dione

Drug info:

PubChemData

Smile

C1C(CNC1C(=O)O)C(=O)S(=O)(=O)C2=C(C=C(C=C2)OCC(F)(F)F)Cl

DOS

IR

Vibrations