Geometry & MOs

Info

ID:	394921
PubChem CID:	135024166
Reduced:	OPH23C28 (1)
Stoich.:	ABC23D28 (1)
Weight, g/mol:	358.178024
ΔH_f, kcal/mol:	87.11
Dipole, Da:	13.64
IP(EA), eV:	-7.05(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S,6R)-2-(4-hydroxy-3-methoxyphenyl)-6-(2-phenylmethoxyethyl)oxan-4-ol

Drug info:

PubChemData

Smile

C=C(/C=C(/C1=CC=CC=C1)\[O-])[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations