Geometry & MOs

Info

ID:	134409
PubChem CID:	51693155
Reduced:	O8C17H24 (1)
Stoich.:	A8B17C24 (1)
Weight, g/mol:	355.139293
ΔH_f, kcal/mol:	-351.21
Dipole, Da:	2.43
IP(EA), eV:	-9.77(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3S)-5-phenyl-3-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC[C@H](CC(=O)O)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O

DOS

IR

Vibrations