Geometry & MOs

Info

ID:

45211

PubChem CID:

10509499

Reduced:

N8O9C40H54 (1)

Stoich.:

A8B9C40D54 (1)

Weight, g/mol:

794.211015

ΔHf, kcal/mol:

-370.29

Dipole, Da:

3.2

IP(EA), eV:

 -8.79(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,3,4,5,6-pentafluorophenyl) (2S,3R)-3-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-aminooxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H](C=N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N1)CCC(=O)N)CC3=CC=C(C=C3)O)CC4=CC=CC=C4)C)CO

DOS

IR

Vibrations