Geometry & MOs

Info

ID:	47974
PubChem CID:	10536095
Reduced:	O5C9H14 (1)
Stoich.:	A5B9C14 (1)
Weight, g/mol:	202.062994
ΔH_f, kcal/mol:	-225.07
Dipole, Da:	0.96
IP(EA), eV:	-10.41(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-4-hydroxy-5-(2-phenylethynyl)oxolan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/1\C[C@H]([C@H]([C@@H]1O)O)O

DOS

IR

Vibrations