Geometry & MOs

Info

ID:	386528
PubChem CID:	134982042
Reduced:	SO4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	360.157288
ΔH_f, kcal/mol:	-118.65
Dipole, Da:	5.31
IP(EA), eV:	-9.07(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C([C@@H]1CCC=CC=C1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations