Geometry & MOs

Info

ID:

383214

PubChem CID:

134974806

Reduced:

SO7C16H22 (1)

Stoich.:

AB7C16D22 (1)

Weight, g/mol:

780.30403

ΔHf, kcal/mol:

-277.91

Dipole, Da:

3.76

IP(EA), eV:

 -9.06(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (3S)-4-[4-[[(2S,5S)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-methyloxan-2-yl]sulfanylmethyl]triazol-1-yl]-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate

Drug info:

PubChemData

Smile

C[C@H]1C(O[C@H](C(C1OC(=O)C)OC(=O)C)SCC#C)COC(=O)C

DOS

IR

Vibrations