Geometry & MOs

Info

ID:	54612
PubChem CID:	17388987
Reduced:	SN2H6C8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	437.022163
ΔH_f, kcal/mol:	151.03
Dipole, Da:	4.9
IP(EA), eV:	-8.73(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenyl] 2,4-dichlorobenzoate

Drug info:

PubChemData

Smile

CSC1=NSC(=C1C#N)N/N=C/C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations