Geometry & MOs

Info

ID:

376918

PubChem CID:

134222951

Reduced:

O2N3C29H33 (1)

Stoich.:

A2B3C29D33 (1)

Weight, g/mol:

1158.490154

ΔHf, kcal/mol:

6.05

Dipole, Da:

5.49

IP(EA), eV:

 -8.46(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C\C1=C(C=CC(=C1)C(=C)NCC2=CC(=C(C=C2)C=C)CN(C)C3CCC(=O)NC3=O)C=C

DOS

IR

Vibrations