Geometry & MOs

Info

ID:	230659
PubChem CID:	87571585
Reduced:	FeC6O7H12 (1)
Stoich.:	AB6C7D12 (1)
Weight, g/mol:	556.243224
ΔH_f, kcal/mol:	-234.08
Dipole, Da:	2.04
IP(EA), eV:	-8.93(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(C(C(C(C(C(=O)O)O)O)O)O)O.[Fe]

DOS

IR

Vibrations