Geometry & MOs

Info

ID:	386568
PubChem CID:	134982178
Reduced:	O11C20H22 (1)
Stoich.:	A11B20C22 (1)
Weight, g/mol:	268.131074
ΔH_f, kcal/mol:	-419.76
Dipole, Da:	0.86
IP(EA), eV:	-10.19(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2R,3R)-3-[(1E,3E)-5-acetyloxypenta-1,3-dienyl]oxiran-2-yl]butanoate

Drug info:

PubChemData

Smile

CC(=O)OC1(C=CC=C(C1=O)C(C/C(=C/C(=O)OC)/C(=O)OC)C(=O)OC)OC(=O)C

DOS

IR

Vibrations