Geometry & MOs

Info

ID:	229046
PubChem CID:	87566838
Reduced:	FSN3O3C25H30 (1)
Stoich.:	ABC3D3E25F30 (1)
Weight, g/mol:	224.035459
ΔH_f, kcal/mol:	-85.37
Dipole, Da:	4.81
IP(EA), eV:	-8.47(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-(2-methylprop-2-enoyloxy)propane-1-sulfonic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCN1C=CC(=N1)/C=C\2/CN(CC[C@H]2S)[C@H](C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations