Geometry & MOs

Info

ID:	48202
PubChem CID:	10537878
Reduced:	O5C12H14 (1)
Stoich.:	A5B12C14 (1)
Weight, g/mol:	238.084124
ΔH_f, kcal/mol:	-82.35
Dipole, Da:	5.8
IP(EA), eV:	-9.98(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3S)-3-formyloxy-2-hydroxy-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(=O)[C@@H]1[C@@H]2[C@@H]3[C@H]4[C@H]1[C@@]5(O[C@H]2O[C@H]3O[C@H]4O5)C

DOS

IR

Vibrations