Geometry & MOs

Info

ID:	390568
PubChem CID:	134999753
Reduced:	BrSO6C18H25 (1)
Stoich.:	ABC6D18E25 (1)
Weight, g/mol:	224.048487
ΔH_f, kcal/mol:	-259.38
Dipole, Da:	6.78
IP(EA), eV:	-9.42(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]-2-oxoacetate

Drug info:

PubChemData

Smile

CCOC(=O)C([C@@H](C1=CC=C(C=C1)Br)OC2CCC[C@@H](O2)C)S(=O)(=O)C

DOS

IR

Vibrations