Geometry & MOs

Info

ID:

437324

PubChem CID:

135223570

Reduced:

NOC6H6 (2)

Stoich.:

ABC6D6 (2)

Weight, g/mol:

1404.720882

ΔHf, kcal/mol:

-7.25

Dipole, Da:

12.32

IP(EA), eV:

-8.21(-1.12)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[2-[2-[2-[2-[2-[[3-[2-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethoxy]-2-[2-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethoxymethyl]-2-(2-methylpropylamino)propoxy]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CN1C=CC(=CC=C(C#N)C(=O)OC)C=C1

DOS

IR

Vibrations