Geometry & MOs

Info

ID:	338185
PubChem CID:	127258877
Reduced:	ClNSF3C8H9 (1)
Stoich.:	ABCD3E8F9 (1)
Weight, g/mol:	479.098136
ΔH_f, kcal/mol:	-174.15
Dipole, Da:	2.51
IP(EA), eV:	-9.67(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

sodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanesulfonate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)SC(F)(F)F)CN.Cl

DOS

IR

Vibrations