Geometry & MOs

Info

ID:

176082

PubChem CID:

75992907

Reduced:

O13N16C57H88 (1)

Stoich.:

A13B16C57D88 (1)

Weight, g/mol:

861.220873

ΔHf, kcal/mol:

-421.43

Dipole, Da:

8.3

IP(EA), eV:

 -8.85(-1.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamoyl]oxan-3-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CC(CC3C(=O)N1)O)C(C)C)CCCCN)CCC(=O)N)CC(=O)N)CCCCN)CC4=CN=CN4)CC5=CC=CC=C5

DOS

IR

Vibrations