Geometry & MOs

Info

ID:	260670
PubChem CID:	103199488
Reduced:	NF3O4C12H14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	448.83667
ΔH_f, kcal/mol:	-300.53
Dipole, Da:	5.89
IP(EA), eV:	-9.99(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4,5-dibromothiophen-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(O1)C2CCOCC2)C(F)(F)F

DOS

IR

Vibrations