Geometry & MOs

Info

ID:	163875
PubChem CID:	74380589
Reduced:	FN2O8C23H33 (1)
Stoich.:	AB2C8D23E33 (1)
Weight, g/mol:	510.162528
ΔH_f, kcal/mol:	-374.54
Dipole, Da:	8.04
IP(EA), eV:	-8.82(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-fluoro-4-methoxyphenyl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)OC2(C(C(C(C(O2)CO)O)O)O)O)CC3=CC(=C(C=C3)OC(C)C)F

DOS

IR

Vibrations