Geometry & MOs

Info

ID:	397908
PubChem CID:	135030946
Reduced:	Br2O4C9H10 (1)
Stoich.:	A2B4C9D10 (1)
Weight, g/mol:	364.03102
ΔH_f, kcal/mol:	-111.29
Dipole, Da:	3.24
IP(EA), eV:	-9.24(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2S,5S,6R)-2-(2-bromophenyl)-5-methyl-8-oxo-7-oxabicyclo[4.2.0]oct-3-ene-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=O)C1(OC)OC)Br)Br

DOS

IR

Vibrations