Geometry & MOs

Info

ID:	230704
PubChem CID:	87571697
Reduced:	SO5C6H14 (1)
Stoich.:	AB5C6D14 (1)
Weight, g/mol:	834.369173
ΔH_f, kcal/mol:	-147.99
Dipole, Da:	6.92
IP(EA), eV:	-10.37(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

Drug info:

PubChemData

Smile

CCCS(=O)(=O)OO.C=CCO

DOS

IR

Vibrations