Geometry & MOs

Info

ID:	12142
PubChem CID:	131281
Reduced:	O9C22H22 (1)
Stoich.:	A9B22C22 (1)
Weight, g/mol:	430.126382
ΔH_f, kcal/mol:	-338.64
Dipole, Da:	5.04
IP(EA), eV:	-10.09(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5R,6S)-6-[2-(3-benzoylphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O

DOS

IR

Vibrations