Geometry & MOs

Info

ID:	386597
PubChem CID:	134982268
Reduced:	OC23H26 (1)
Stoich.:	AB23C26 (1)
Weight, g/mol:	476.241018
ΔH_f, kcal/mol:	5.87
Dipole, Da:	1.85
IP(EA), eV:	-9.1(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (4S,5S)-2-[(E)-10-benzoyloxydec-1-enyl]-1,3-dioxolane-4,5-dicarboxylate

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/C(=C)O[C@@H]2CCCC[C@H]2C3=CC=CC=C3

DOS

IR

Vibrations