Geometry & MOs

Info

ID:	27955
PubChem CID:	824325
Reduced:	NS2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	323.132157
ΔH_f, kcal/mol:	-56.3
Dipole, Da:	1.67
IP(EA), eV:	-9.18(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=NC(=O)C(=CC2=CC=CC=C2)S1

DOS

IR

Vibrations