Geometry & MOs

Info

ID:	234284
PubChem CID:	92298094
Reduced:	SN2O6H18C20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	358.99572
ΔH_f, kcal/mol:	-191.7
Dipole, Da:	5.12
IP(EA), eV:	-9.38(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)OS(=O)(=O)C)/C(=O)NC2=O

DOS

IR

Vibrations