Geometry & MOs

Info

ID:

382551

PubChem CID:

134973788

Reduced:

NO8C22H23 (1)

Stoich.:

AB8C22D23 (1)

Weight, g/mol:

794.312286

ΔHf, kcal/mol:

-297.53

Dipole, Da:

2.48

IP(EA), eV:

 -8.85(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,6S)-3,4,5-triacetyloxy-6-[1-[(4S)-5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentyl]triazol-4-yl]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CO[C@H]1C(C([C@@H](C(O1)C(=O)O)O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations