Geometry & MOs

Info

ID:

308709

PubChem CID:

126522405

Reduced:

ON9H27C30 (1)

Stoich.:

AB9C27D30 (1)

Weight, g/mol:

1826.746936

ΔHf, kcal/mol:

182.03

Dipole, Da:

5.56

IP(EA), eV:

 -8.35(-1.9)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(2S)-6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[(2S)-2,6-bis[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]hexanoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(=O)C7=CC=CC=C7)/C=C23

DOS

IR

Vibrations