Geometry & MOs

Info

ID:	27629
PubChem CID:	822695
Reduced:	ClSN3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	334.095357
ΔH_f, kcal/mol:	66.71
Dipole, Da:	6.94
IP(EA), eV:	-9.03(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SCC2=C(C=C(C=C2)C#N)Cl)C

DOS

IR

Vibrations