Geometry & MOs

Info

ID:	339237
PubChem CID:	127260616
Reduced:	O5H18C20 (1)
Stoich.:	A5B18C20 (1)
Weight, g/mol:	338.115424
ΔH_f, kcal/mol:	-156.31
Dipole, Da:	2.52
IP(EA), eV:	-10.05(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R)-2-benzoyloxy-3-oxocyclohexyl] benzoate

Drug info:

PubChemData

Smile

C1C[C@H]([C@H](C(=O)C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations