Geometry & MOs

Info

ID:	226574
PubChem CID:	87544224
Reduced:	ClF3O3N4C26H28 (1)
Stoich.:	AB3C3D4E26F28 (1)
Weight, g/mol:	438.95706
ΔH_f, kcal/mol:	-225.48
Dipole, Da:	4.2
IP(EA), eV:	-8.9(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2-bromo-5-chloro-4,6-dimethylpyridin-3-yl)-1,3-oxazol-4-yl]-3-nitrobenzene-1,2-diol

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)O/N=C(/CCN2CC(N(C2=O)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)C(F)(F)F)\N

DOS

IR

Vibrations