Geometry & MOs

Info

ID:	59558
PubChem CID:	24875299
Reduced:	FN2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	380.080709
ΔH_f, kcal/mol:	-25.8
Dipole, Da:	5.46
IP(EA), eV:	-9.34(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

C1CC2CC(C(C1)N2)C3=CN=C(C=C3)[18F]

DOS

IR

Vibrations