Geometry & MOs

Info

ID:	149458
PubChem CID:	53789131
Reduced:	ClN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	434.185826
ΔH_f, kcal/mol:	-34.76
Dipole, Da:	4.76
IP(EA), eV:	-8.36(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[hydroxy(3-naphthalen-1-ylpropyl)phosphoryl]pentyl]pentanedioic acid

Drug info:

PubChemData

Smile

COC(=O)CNC1CCC2=C(NC3=CC=CC1=C23)C4=CC=CC=C4Cl

DOS

IR

Vibrations