Geometry & MOs

Info

ID:

448086

PubChem CID:

135288368

Reduced:

SF2N6O16C40H42 (1)

Stoich.:

AB2C6D16E40F42 (1)

Weight, g/mol:

932.234607

ΔHf, kcal/mol:

-556.82

Dipole, Da:

14.52

IP(EA), eV:

 -9.32(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6S)-3,5-diacetyloxy-6-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]oxyoxan-2-yl]sulfanyl-4-[4-(4-fluorophenyl)triazol-1-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)ON3C=C(N=N3)C4=CC(=CC=C4)F)OC(=O)C)OC(=O)C)ON5C=C(N=N5)C6=CC(=CC=C6)F)OC(=O)C

DOS

IR

Vibrations