Geometry & MOs

Info

ID:	49196
PubChem CID:	11528900
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-112.13
Dipole, Da:	4.4
IP(EA), eV:	-9.72(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-5-ethyl-4-[(S)-hydroxy(phenyl)methyl]-2,2-dimethyloxolan-3-one

Drug info:

PubChemData

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C[C@@H]1[C@H](C=CC2=CC[C@@H]3[C@H]([C@@]12C)[C@@]3(C)C(=O)O)O

DOS

IR

Vibrations