Geometry & MOs

Info

ID:	230302
PubChem CID:	87570617
Reduced:	ClO3C6H9 (1)
Stoich.:	AB3C6D9 (1)
Weight, g/mol:	532.186851
ΔH_f, kcal/mol:	-140.05
Dipole, Da:	2.24
IP(EA), eV:	-10.86(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6R)-6-[4-[(2,6-difluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-3,4,5,6-tetrahydroxyoxan-2-yl]methyl methyl carbonate

Drug info:

PubChemData

Smile

CC(COC(=O)C=C)(O)Cl

DOS

IR

Vibrations