Geometry & MOs

Info

ID:

388916

PubChem CID:

134990592

Reduced:

SN2O6C16H16 (1)

Stoich.:

AB2C6D16E16 (1)

Weight, g/mol:

1048.594381

ΔHf, kcal/mol:

-129.07

Dipole, Da:

8.33

IP(EA), eV:

 -9.56(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-4,13,16,22-tetrazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations