Geometry & MOs

Info

ID:	230848
PubChem CID:	87572132
Reduced:	IO5C11H15 (1)
Stoich.:	AB5C11D15 (1)
Weight, g/mol:	440.195879
ΔH_f, kcal/mol:	-200.64
Dipole, Da:	2.52
IP(EA), eV:	-9.91(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5S,6R)-2-[4-[(3-fluoro-4-methylphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](CC(=O)C=CI)OC(=O)C

DOS

IR

Vibrations