Geometry & MOs

Info

ID:	230662
PubChem CID:	87571590
Reduced:	FIN2O3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	598.07738
ΔH_f, kcal/mol:	-125.77
Dipole, Da:	9.08
IP(EA), eV:	-9.49(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6R)-6-[4-[(4-bromophenyl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]oxy-3,4,5,6-tetrahydroxyoxan-2-yl]methyl methyl carbonate

Drug info:

PubChemData

Smile

CN(C)CCN/C=C(/C(=O)C1=C(C=CC(=C1)I)F)\C(=O)O

DOS

IR

Vibrations