Geometry & MOs

Info

ID:	395637
PubChem CID:	135026068
Reduced:	O5H26C27 (1)
Stoich.:	A5B26C27 (1)
Weight, g/mol:	392.110732
ΔH_f, kcal/mol:	-106.56
Dipole, Da:	4.73
IP(EA), eV:	-8.79(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-3,4,5-triacetyloxy-2-oxocyclohexyl] benzoate

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C(=C(C1=O)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations