Geometry & MOs

Info

ID:	391476
PubChem CID:	135005565
Reduced:	BrO5H23C26 (1)
Stoich.:	AB5C23D26 (1)
Weight, g/mol:	444.157288
ΔH_f, kcal/mol:	-129.56
Dipole, Da:	3.26
IP(EA), eV:	-9.64(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl 2-[(1R)-1-(4-formylphenyl)-3-oxopropyl]propanedioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C([C@@H](CC=O)C2=CC=CC=C2Br)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations