Geometry & MOs

Info

ID:

308812

PubChem CID:

126522794

Reduced:

N3H11C12 (2)

Stoich.:

A3B11C12 (2)

Weight, g/mol:

1469.625973

ΔHf, kcal/mol:

167.15

Dipole, Da:

7.37

IP(EA), eV:

 -8.29(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;(2S)-6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[(2S)-2,6-bis[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]hexanoate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CN=CC=C6)NN4)/C=C23

DOS

IR

Vibrations