Geometry & MOs

Info

ID:	386854
PubChem CID:	134983152
Reduced:	OH13C18 (2)
Stoich.:	AB13C18 (2)
Weight, g/mol:	658.193
ΔH_f, kcal/mol:	74.48
Dipole, Da:	3.04
IP(EA), eV:	-8.35(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,5S,6R)-2-[(E)-3-bromoprop-1-enoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2/C=C\C3=CC=CC=C3COC4=C(C5=CC=CC=C5C=C4)C6=C(O1)C=CC7=CC=CC=C76

DOS

IR

Vibrations