Geometry & MOs

Info

ID:	394479
PubChem CID:	135023044
Reduced:	OC6H6 (7)
Stoich.:	AB6C6 (7)
Weight, g/mol:	658.293054
ΔH_f, kcal/mol:	-152.48
Dipole, Da:	5.3
IP(EA), eV:	-9.25(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,7R)-3-phenyl-7,8,9-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-1,5-dioxaspiro[3.5]nonan-3-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2[C@H](C(C([C@H](O2)OCC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations