Geometry & MOs

Info

ID:	394480
PubChem CID:	135023045
Reduced:	OC6H6 (7)
Stoich.:	AB6C6 (7)
Weight, g/mol:	608.277404
ΔH_f, kcal/mol:	-139.83
Dipole, Da:	4.48
IP(EA), eV:	-9.11(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@]([C@]2(O1)C(C([C@@H](C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)(C7=CC=CC=C7)O

DOS

IR

Vibrations