Geometry & MOs

Info

ID:	46600
PubChem CID:	10525478
Reduced:	FN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	407.964139
ΔH_f, kcal/mol:	-81.65
Dipole, Da:	8.96
IP(EA), eV:	-8.78(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-[(2R)-1-carboxy-3-sulfidopropan-2-yl]azanidylethylamino]-4-hydroxy-4-oxobutane-1-thiolate;oxo(99Tc)technetium-99(3+)

Drug info:

PubChemData

Smile

C=CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C4CC4

DOS

IR

Vibrations