Geometry & MOs

Info

ID:	260660
PubChem CID:	103199240
Reduced:	BrClNF2O3H9C13 (1)
Stoich.:	ABCD2E3F9G13 (1)
Weight, g/mol:	319.022305
ΔH_f, kcal/mol:	-166.74
Dipole, Da:	3.94
IP(EA), eV:	-9.91(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-chloro-2-fluorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(O1)C2=CC(=C(C=C2)Br)Cl)C(F)F

DOS

IR

Vibrations