Geometry & MOs

Info

ID:

390935

PubChem CID:

135001668

Reduced:

N2F3O7C31H37 (1)

Stoich.:

A2B3C7D31E37 (1)

Weight, g/mol:

1753.63743

ΔHf, kcal/mol:

-417.26

Dipole, Da:

3.28

IP(EA), eV:

 -9.64(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,18R,19R,22S,25R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(phosphonomethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCCC1C2(CN(C2)C(=O)OCC3=CC=CC=C3)OC(=O)[C@@](C4=CC=CC=C4)(C(F)(F)F)OC

DOS

IR

Vibrations