Geometry & MOs

Info

ID:	260668
PubChem CID:	103199419
Reduced:	NS2F3O3H8C12 (1)
Stoich.:	AB2C3D3E8F12 (1)
Weight, g/mol:	410.95792
ΔH_f, kcal/mol:	-215.96
Dipole, Da:	7.97
IP(EA), eV:	-9.2(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSCC2=C1SC(=C2)C3=NC(=C(O3)C(=O)O)C(F)(F)F

DOS

IR

Vibrations