Geometry & MOs

Info

ID:	235214
PubChem CID:	92304229
Reduced:	PSN2F3O3C13H18 (1)
Stoich.:	ABC2D3E3F13G18 (1)
Weight, g/mol:	310.111756
ΔH_f, kcal/mol:	-326.24
Dipole, Da:	8.51
IP(EA), eV:	-8.74(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-[4-(dimethylamino)phenyl]-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CCOP(=O)([C@H](C(F)(F)F)NC(=S)NC1=CC=CC=C1)OCC

DOS

IR

Vibrations