Geometry & MOs

Info

ID:	219428
PubChem CID:	85148651
Reduced:	BrH3C10F16 (1)
Stoich.:	AB3C10D16 (1)
Weight, g/mol:	507.98931
ΔH_f, kcal/mol:	-774.66
Dipole, Da:	2.46
IP(EA), eV:	-11.03(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[2-bromo-5-[2,6-dioxo-4-(trifluoromethyl)-1,3-diazinan-1-yl]-4-fluorophenoxy]methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

C(C=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)Br

DOS

IR

Vibrations