Geometry & MOs

Info

ID:	44741
PubChem CID:	10505686
Reduced:	BrOC12H12 (2)
Stoich.:	ABC12D12 (2)
Weight, g/mol:	504.145024
ΔH_f, kcal/mol:	-29.64
Dipole, Da:	5.24
IP(EA), eV:	-8.69(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-dibenzofuran-3-yl-2-[[(1R)-1-phosphono-3-quinolin-8-ylpropyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)COC2=CC(=C(C=C2OCC3=C(C=CC(=C3)C)C)Br)Br

DOS

IR

Vibrations