Geometry & MOs

Info

ID:	29922
PubChem CID:	838267
Reduced:	ClNOH8C13 (1)
Stoich.:	ABCD8E13 (1)
Weight, g/mol:	341.045486
ΔH_f, kcal/mol:	34.24
Dipole, Da:	3.85
IP(EA), eV:	-9.09(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=NC3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations