Geometry & MOs

Info

ID:	84514
PubChem CID:	49867144
Reduced:	SC6H10O10 (1)
Stoich.:	AB6C10D10 (1)
Weight, g/mol:	584.099969
ΔH_f, kcal/mol:	-421.26
Dipole, Da:	3.94
IP(EA), eV:	-11.22(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[(1S)-1-[4-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-[4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

[C@@H]1([C@H]([C@@H](O[C@@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O

DOS

IR

Vibrations