Geometry & MOs

Info

ID:	10944
PubChem CID:	109334
Reduced:	NSC7O7H17 (1)
Stoich.:	ABC7D7E17 (1)
Weight, g/mol:	259.072573
ΔH_f, kcal/mol:	-328.05
Dipole, Da:	4.7
IP(EA), eV:	-9.89(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-hydroxypropane-1-sulfonic acid

Drug info:

PubChemData

Smile

C(C(CS(=O)(=O)O)O)NC(CO)(CO)CO

DOS

IR

Vibrations