Geometry & MOs

Info

ID:

376922

PubChem CID:

134222955

Reduced:

NC21H35 (1)

Stoich.:

AB21C35 (1)

Weight, g/mol:

1158.490154

ΔHf, kcal/mol:

18.44

Dipole, Da:

2.0

IP(EA), eV:

-8.57(0.5)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[2-[2-[6-[6-(5-aminopentoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[4-hydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC/C(=C\C(=C/C=C/C)\CNC)/CCCCCCC(=C=C)C

DOS

IR

Vibrations