Geometry & MOs

Info

ID:	54837
PubChem CID:	17389381
Reduced:	NaN2S2H5C6O6 (1)
Stoich.:	AB2C2D5E6F6 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-281.65
Dipole, Da:	10.86
IP(EA), eV:	-8.95(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-benzylidene-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;piperidine

Drug info:

PubChemData

Smile

C1=C(C(=O)NC(=O)N1)C(=O)CSS(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations