Geometry & MOs

Info

ID:	294468
PubChem CID:	117462539
Reduced:	ClSO3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	285.97532
ΔH_f, kcal/mol:	-107.31
Dipole, Da:	3.6
IP(EA), eV:	-8.68(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromo-4-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)C2(CCC2)C(=O)O)SC

DOS

IR

Vibrations