Geometry & MOs

Info

ID:	9174
PubChem CID:	86943
Reduced:	NSO7C9H17 (1)
Stoich.:	ABC7D9E17 (1)
Weight, g/mol:	283.072573
ΔH_f, kcal/mol:	-316.22
Dipole, Da:	3.13
IP(EA), eV:	-9.59(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,2S,3R,4R)-1,2,3,4,5-pentahydroxypentyl]-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1C(NC(S1)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C(=O)O

DOS

IR

Vibrations