Geometry & MOs

Info

ID:	437391
PubChem CID:	135226200
Reduced:	O5C14H18 (1)
Stoich.:	A5B14C18 (1)
Weight, g/mol:	252.099774
ΔH_f, kcal/mol:	-187.1
Dipole, Da:	2.02
IP(EA), eV:	-9.75(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R,5S)-2-(2-methoxyethyl)-5-phenyl-1,3-dioxolane-4-carboxylic acid

Drug info:

PubChemData

Smile

COCC[C@H]1O[C@H]([C@@H](O1)C(=O)OC)C2=CC=CC=C2

DOS

IR

Vibrations