Geometry & MOs

Info

ID:	27624
PubChem CID:	822678
Reduced:	ClNO4H14C18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	327.090686
ΔH_f, kcal/mol:	-71.57
Dipole, Da:	1.98
IP(EA), eV:	-8.52(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)/C=C/2\C(=O)OC(=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations