Geometry & MOs

Info

ID:	44442
PubChem CID:	10503599
Reduced:	FN2S2O6C18H25 (1)
Stoich.:	AB2C2D6E18F25 (1)
Weight, g/mol:	447.182792
ΔH_f, kcal/mol:	-291.41
Dipole, Da:	2.92
IP(EA), eV:	-9.12(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-amino-2-methylbenzimidazol-1-ium-1-yl)propanoate;2,4,6-trimethylbenzenesulfonate

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2OS(=O)(=O)N)[18F])CCC4=C3C=CC(=C4)OS(=O)(=O)N

DOS

IR

Vibrations