Geometry & MOs

Info

ID:	125045
PubChem CID:	50907978
Reduced:	O7C21H34 (1)
Stoich.:	A7B21C34 (1)
Weight, g/mol:	394.199153
ΔH_f, kcal/mol:	-292.74
Dipole, Da:	2.43
IP(EA), eV:	-9.14(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-phenyl-1-[(2S,3S,4S,5R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]hexane-1,4-dione

Drug info:

PubChemData

Smile

CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)OC)C(CCC(CCC2=CC=CC=C2)O)O)OC

DOS

IR

Vibrations