Geometry & MOs

Info

ID:	183316
PubChem CID:	77006035
Reduced:	BrN2O5C13H13 (1)
Stoich.:	AB2C5D13E13 (1)
Weight, g/mol:	317.98155
ΔH_f, kcal/mol:	-178.68
Dipole, Da:	5.73
IP(EA), eV:	-10.01(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(2,4-difluorophenyl)methyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)O)CN2CC(C(=O)NC2=O)Br

DOS

IR

Vibrations