Geometry & MOs

Info

ID:	408322
PubChem CID:	135081088
Reduced:	OC15H18 (1)
Stoich.:	AB15C18 (1)
Weight, g/mol:	238.068867
ΔH_f, kcal/mol:	0.45
Dipole, Da:	1.76
IP(EA), eV:	-9.26(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R,5R)-6-[(1R)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(CC1OCC=C)C2=CC=CC=C2

DOS

IR

Vibrations