Geometry & MOs

Info

ID:

392213

PubChem CID:

135013705

Reduced:

SN2O26C41H56 (1)

Stoich.:

AB2C26D41E56 (1)

Weight, g/mol:

641.189059

ΔHf, kcal/mol:

-1178.29

Dipole, Da:

7.74

IP(EA), eV:

 -8.81(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-(phenylmethoxycarbonylamino)-3-[[(5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamothioylamino]propanoate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H](C(C([C@@H](O1)NC(=S)N[C@H]2C(C([C@@H](C(O2)COC(=O)C)O[C@H]3C(C([C@H](C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations