Geometry & MOs

Info

ID:	384391
PubChem CID:	134976902
Reduced:	PO3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	611.98876
ΔH_f, kcal/mol:	-76.8
Dipole, Da:	3.43
IP(EA), eV:	-9.45(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-bromophenyl)-3-[bromo(triphenyl)-lambda5-phosphanyl]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)CP(C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)OC=O

DOS

IR

Vibrations