Geometry & MOs

Info

ID:	230912
PubChem CID:	87572238
Reduced:	O7C10H16 (1)
Stoich.:	A7B10C16 (1)
Weight, g/mol:	832.349044
ΔH_f, kcal/mol:	-313.78
Dipole, Da:	4.68
IP(EA), eV:	-10.58(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-[4-[(2-chloro-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

CCC([C@H](CC(=O)O)OC(=O)COC)C(=O)O

DOS

IR

Vibrations