Geometry & MOs

Info

ID:	394577
PubChem CID:	135023251
Reduced:	NCl3O10C16H20 (1)
Stoich.:	AB3C10D16E20 (1)
Weight, g/mol:	348.105647
ΔH_f, kcal/mol:	-443.3
Dipole, Da:	3.68
IP(EA), eV:	-10.68(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-4,5,6-triacetyloxy-2-(hydroxymethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C([C@@H](C(C(O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations