Geometry & MOs

Info

ID:

16200

PubChem CID:

461348

Reduced:

SN8O20C51H82 (1)

Stoich.:

AB8C20D51E82 (1)

Weight, g/mol:

1158.536608

ΔHf, kcal/mol:

-907.85

Dipole, Da:

13.22

IP(EA), eV:

 -7.78(-1.94)

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-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-hydroxyphenyl] hydrogen sulfate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(C(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(CC4=CC(=C(C=C4)O)OS(=O)(=O)O)O)C(CC(=O)N)O)C)O)O)O

DOS

IR

Vibrations