Geometry & MOs

Info

ID:

403557

PubChem CID:

135060782

Reduced:

FSO2H19C21 (1)

Stoich.:

ABC2D19E21 (1)

Weight, g/mol:

764.316782

ΔHf, kcal/mol:

-49.76

Dipole, Da:

5.87

IP(EA), eV:

 -8.31(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S,3R)-3-[3-acetamido-4-[5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)C2=CC=CC=C2[C@@H]([C@@H](C3=CC=CC=C3)O)F

DOS

IR

Vibrations