Geometry & MOs

Info

ID:

47498

PubChem CID:

10533449

Reduced:

N5O14C39H55 (1)

Stoich.:

A5B14C39D55 (1)

Weight, g/mol:

819.39468

ΔHf, kcal/mol:

-639.68

Dipole, Da:

6.11

IP(EA), eV:

 -9.29(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-4,5-bis(4-azidobutanoyloxy)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2S)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]oxyoxan-3-yl] 4-azidobutanoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C[C@@H]2[C@@H]([C@@H]([C@H](C(O2)O)O)O)O)C(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations