Geometry & MOs

Info

ID:	328496
PubChem CID:	126723532
Reduced:	SO2F4N7C24H27 (1)
Stoich.:	AB2C4D7E24F27 (1)
Weight, g/mol:	498.167853
ΔH_f, kcal/mol:	-164.76
Dipole, Da:	6.65
IP(EA), eV:	-8.64(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-4,5-dibenzoyloxy-2-ethyl-4-prop-1-ynyloxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(=O)N/C(=C/C=C(\C(=C)[C@@]2(CS3(=N[C@@H](CCCN3C(=N2)N)C(F)(F)F)=O)C)/F)/C)C#N

DOS

IR

Vibrations