Geometry & MOs

Info

ID:	318249
PubChem CID:	126650099
Reduced:	SN2O4F8H14C25 (1)
Stoich.:	AB2C4D8E14F25 (1)
Weight, g/mol:	254.066462
ΔH_f, kcal/mol:	-414.63
Dipole, Da:	7.54
IP(EA), eV:	-9.74(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-dicarboxy-(carboxymethyl)azanium

Drug info:

PubChemData

Smile

C1COC2=C(C1C3=C(C=C(C=C3)C(F)(F)F)N4C=CC=N4)C=CC(=C2)S(=O)(=O)OC5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations