Geometry & MOs

Info

ID:	390621
PubChem CID:	135000038
Reduced:	NSC4H5 (1)
Stoich.:	ABC4D5 (1)
Weight, g/mol:	339.01062
ΔH_f, kcal/mol:	62.34
Dipole, Da:	4.33
IP(EA), eV:	-8.6(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-bromo-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(=C=N)C=S

DOS

IR

Vibrations