Geometry & MOs

Info

ID:	124576
PubChem CID:	50887998
Reduced:	ClNO7H16C20 (1)
Stoich.:	ABC7D16E20 (1)
Weight, g/mol:	411.03175
ΔH_f, kcal/mol:	-178.65
Dipole, Da:	5.42
IP(EA), eV:	-9.21(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-bromo-6-ethoxy-4-[(Z)-(3-methyl-5-oxo-1,2-oxazol-4-ylidene)methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CCOC(=O)COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)/C=C\3/C(=NOC3=O)C)Cl

DOS

IR

Vibrations