Geometry & MOs

Info

ID:	337215
PubChem CID:	127256780
Reduced:	Br2S2N5O6C19H27 (1)
Stoich.:	A2B2C5D6E19F27 (1)
Weight, g/mol:	198.064057
ΔH_f, kcal/mol:	-218.52
Dipole, Da:	7.26
IP(EA), eV:	-8.66(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,6-dioxodiazinan-1-yl)-3-oxobutanal

Drug info:

PubChemData

Smile

C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.C(CNS(=O)(=O)O)CBr.C(CNS(=O)(=O)O)CBr

DOS

IR

Vibrations