Geometry & MOs

Info

ID:

215209

PubChem CID:

85084368

Reduced:

SN5O8C39H57 (1)

Stoich.:

AB5C8D39E57 (1)

Weight, g/mol:

756.450736

ΔHf, kcal/mol:

-359.73

Dipole, Da:

3.15

IP(EA), eV:

 -8.93(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(octadecoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)OC(CC2=CC=CC=C2)C(=O)NC(CSC)C(=O)NC(CC3CCCCC3)C(COC4=CC=CC=N4)O

DOS

IR

Vibrations