Geometry & MOs

Info

ID:

15785

PubChem CID:

450518

Reduced:

ClTcN2O6H17C19 (1)

Stoich.:

ABC2D6E17F19 (1)

Weight, g/mol:

502.983764

ΔHf, kcal/mol:

313.86

Dipole, Da:

10.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 5.190748

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid;technetium-99

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CN(CC(=O)O)CC(=O)O.[99Tc]

DOS

IR

Vibrations