Geometry & MOs

Info

ID:	12872
PubChem CID:	147404
Reduced:	BrO2H11C15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	301.99424
ΔH_f, kcal/mol:	12.37
Dipole, Da:	1.89
IP(EA), eV:	-9.82(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2[C@@H](O2)C(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations