Geometry & MOs

Info

ID:	307784
PubChem CID:	125309177
Reduced:	Cl3O8H19C26 (1)
Stoich.:	A3B8C19D26 (1)
Weight, g/mol:	564.014551
ΔH_f, kcal/mol:	-289.26
Dipole, Da:	1.31
IP(EA), eV:	-10.05(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4S,5S)-3,4-bis[(4-chlorobenzoyl)oxy]-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)OC[C@H]2[C@H]([C@@H]([C@H](O2)O)OC(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl)Cl

DOS

IR

Vibrations