Geometry & MOs

Info

ID:	247716
PubChem CID:	103072914
Reduced:	BrN3O3C9H10 (1)
Stoich.:	AB3C3D9E10 (1)
Weight, g/mol:	228.093249
ΔH_f, kcal/mol:	8.88
Dipole, Da:	11.5
IP(EA), eV:	-9.85(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(ethylaminomethyl)prop-2-enyl]-1,3-thiazinane-2,4-dione

Drug info:

PubChemData

Smile

C=C(CN)CN1C=C(C(=O)C(=C1)Br)[N+](=O)[O-]

DOS

IR

Vibrations