Geometry & MOs

Info

ID:	47412
PubChem CID:	10532462
Reduced:	ClN2O6C39H41 (1)
Stoich.:	AB2C6D39E41 (1)
Weight, g/mol:	669.272653
ΔH_f, kcal/mol:	-194.75
Dipole, Da:	3.52
IP(EA), eV:	-9.15(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

COC(=O)N1[C@@H](CC(=O)C2=CC=CC=C2N(C(=O)[C@H]1CC34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6Cl)C(=O)OCC7=CC=CC=C7

DOS

IR

Vibrations