Geometry & MOs

Info

ID:	424538
PubChem CID:	135123056
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	457.12667
ΔH_f, kcal/mol:	-108.19
Dipole, Da:	4.77
IP(EA), eV:	-9.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(1,1-dicarboxyethylphosphanyl)propoxy-ethylamino]oxypropan-2-ylphosphanyl]-2-methylpropanedioic acid

Drug info:

PubChemData

Smile

CC(C)C1CN(CC2=C(O1)C=CC=N2)C(=O)O

DOS

IR

Vibrations