Geometry & MOs

Info

ID:

308700

PubChem CID:

126522396

Reduced:

BrO4N8C16H17 (1)

Stoich.:

AB4C8D16E17 (1)

Weight, g/mol:

1447.644029

ΔHf, kcal/mol:

-103.63

Dipole, Da:

1.34

IP(EA), eV:

 -9.42(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(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]hexanoic acid

Drug info:

PubChemData

Smile

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3C4=C(N=C3Br)N(C(=O)N(C4=O)C)C

DOS

IR

Vibrations