Geometry & MOs

Info

ID:	380167
PubChem CID:	134970516
Reduced:	O2C17H25 (2)
Stoich.:	A2B17C25 (2)
Weight, g/mol:	538.06272
ΔH_f, kcal/mol:	-215.18
Dipole, Da:	4.13
IP(EA), eV:	-9.44(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-4,5-dibenzoyloxy-6-bromo-2-methyloxan-3-yl] benzoate

Drug info:

PubChemData

Smile

C[C@H]1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)O)OCC6=CC=CC=C6)C)C)O[C@]17CCC(CO7)C

DOS

IR

Vibrations