Geometry & MOs

Info

ID:

148347

PubChem CID:

53788009

Reduced:

NO6C26H33 (1)

Stoich.:

AB6C26D33 (1)

Weight, g/mol:

1173.536274

ΔHf, kcal/mol:

-208.13

Dipole, Da:

4.6

IP(EA), eV:

 -8.21(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[2-[3-(3-amino-1-hydroxy-3-oxopropyl)-18-(hexadecanoylamino)-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,7,13,16,22-pentazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl] hydrogen sulfate

Drug info:

PubChemData

Smile

CC(=O)COC1=CC=CC(=C1)C(CCC2=CC(=C(C=C2)OC)OC)OC(=O)[C@@H]3CCCCN3

DOS

IR

Vibrations