Geometry & MOs

Info

ID:	222195
PubChem CID:	85295140
Reduced:	O3N4C8H12 (1)
Stoich.:	A3B4C8D12 (1)
Weight, g/mol:	214.077599
ΔH_f, kcal/mol:	-43.31
Dipole, Da:	5.88
IP(EA), eV:	-9.92(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-(thiolan-2-yl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)C1C(C(=O)N1)CCCN=[N+]=[N-]

DOS

IR

Vibrations