Geometry & MOs

Info

ID:	29458
PubChem CID:	833924
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	297.055656
ΔH_f, kcal/mol:	-71.49
Dipole, Da:	4.33
IP(EA), eV:	-8.59(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)OC)C

DOS

IR

Vibrations