Geometry & MOs

Info

ID:	228549
PubChem CID:	87565264
Reduced:	SN3F6O6H14C19 (1)
Stoich.:	AB3C6D6E14F19 (1)
Weight, g/mol:	260.014426
ΔH_f, kcal/mol:	-449.3
Dipole, Da:	8.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768869
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;formate

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C(=O)[N+]1(CC2=CC=NC=C2)OC(=O)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations