Geometry & MOs

Info

ID:	406202
PubChem CID:	135076864
Reduced:	BrO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	318.09258
ΔH_f, kcal/mol:	-25.78
Dipole, Da:	3.43
IP(EA), eV:	-8.94(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,3R)-3-phenyloxiran-2-yl]ethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C=C)OCC(=C)Br

DOS

IR

Vibrations