Geometry & MOs

Info

ID:

47541

PubChem CID:

10534025

Reduced:

PN6O15C46H59 (1)

Stoich.:

AB6C15D46E59 (1)

Weight, g/mol:

1010.547187

ΔHf, kcal/mol:

-689.58

Dipole, Da:

6.17

IP(EA), eV:

 -9.14(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (4R)-4-[(1S)-4-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxyoxan-2-yl]-1-trimethylsilyloxybut-3-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC=C(C=C3)O)C)CC4=CC=CC=C4)O)CC5=CC=CC=C5)NC(=O)[C@H](COP(=O)(O)O)O)C

DOS

IR

Vibrations