Geometry & MOs

Info

ID:

191823

PubChem CID:

78191100

Reduced:

SN2O4C26H38 (1)

Stoich.:

AB2C4D26E38 (1)

Weight, g/mol:

2247.740223

ΔHf, kcal/mol:

-174.58

Dipole, Da:

3.01

IP(EA), eV:

 -9.23(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[2-[2-[2-[2-decoxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CC(C)CN(CC(CC(CC1=CC=CC=C1)C(=O)NC(C)(C)C)O)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations