Geometry & MOs

Info

ID:	163874
PubChem CID:	74380588
Reduced:	FN2O8C22H31 (1)
Stoich.:	AB2C8D22E31 (1)
Weight, g/mol:	484.222094
ΔH_f, kcal/mol:	-364.95
Dipole, Da:	4.61
IP(EA), eV:	-8.74(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CC2=C(N(N=C2OC3(C(C(C(C(O3)CO)O)O)O)O)C(C)C)C)F

DOS

IR

Vibrations