Geometry & MOs

Info

ID:

383215

PubChem CID:

134974807

Reduced:

SN4O11C39H48 (1)

Stoich.:

AB4C11D39E48 (1)

Weight, g/mol:

780.30403

ΔHf, kcal/mol:

-427.03

Dipole, Da:

8.48

IP(EA), eV:

 -8.75(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (3S)-4-[4-[[(2R,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)SCC2=CN(N=N2)C[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)COC(=O)C

DOS

IR

Vibrations