Geometry & MOs

Info

ID:	391738
PubChem CID:	135009118
Reduced:	BrNO6C18H20 (1)
Stoich.:	ABC6D18E20 (1)
Weight, g/mol:	234.089209
ΔH_f, kcal/mol:	-227.42
Dipole, Da:	3.88
IP(EA), eV:	-9.23(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1S,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N[C@H]2[C@H]([C@H](CC=C2Br)C(=O)OC)C(=O)OC

DOS

IR

Vibrations