Geometry & MOs

Info

ID:	131498
PubChem CID:	51214874
Reduced:	SO3N5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	332.060863
ΔH_f, kcal/mol:	-46.72
Dipole, Da:	9.54
IP(EA), eV:	-8.93(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-fluoro-2-nitrophenoxy)methyl]-5-(4-fluorophenyl)-1,3-oxazole

Drug info:

PubChemData

Smile

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=CC=CC=[N+]3[O-])C

DOS

IR

Vibrations