Geometry & MOs

Info

ID:	73686
PubChem CID:	48420012
Reduced:	Cl2O2F3N3H12C16 (1)
Stoich.:	A2B2C3D3E12F16 (1)
Weight, g/mol:	325.053942
ΔH_f, kcal/mol:	-189.3
Dipole, Da:	2.81
IP(EA), eV:	-9.27(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-4-(3-methylbut-2-enylsulfonylmethyl)-1,3-oxazole

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)C(=O)NNC2=C(C=C(C=C2)Cl)Cl)C(F)(F)F

DOS

IR

Vibrations