Geometry & MOs

Info

ID:	381319
PubChem CID:	134972015
Reduced:	ClO3N4H9C10 (1)
Stoich.:	AB3C4D9E10 (1)
Weight, g/mol:	277.06987
ΔH_f, kcal/mol:	-7.79
Dipole, Da:	2.58
IP(EA), eV:	-9.56(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-2-[2-(2-methyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=N1)Cl)/C=C(/C(=O)OC)\N=[N+]=[N-]

DOS

IR

Vibrations