Geometry & MOs

Info

ID:	194470
PubChem CID:	78541329
Reduced:	F3N3O3H16C18 (1)
Stoich.:	A3B3C3D16E18 (1)
Weight, g/mol:	267.077658
ΔH_f, kcal/mol:	-197.41
Dipole, Da:	7.12
IP(EA), eV:	-8.94(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3,4,5-tetrahydroxypentyl)-1,3-thiazolidin-3-ium-4-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C=NNC(=O)C(=O)NC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations