Geometry & MOs

Info

ID:

186

PubChem CID:

2255

Reduced:

SO8C15H23 (2)

Stoich.:

AB8C15D23 (2)

Weight, g/mol:

726.222728

ΔHf, kcal/mol:

-715.81

Dipole, Da:

7.58

IP(EA), eV:

 -10.04(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-hydroxy-7-[6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(=O)OC1C(C(C(OC1OC2CC(C3CCC45CC(CCC4C3(C2)C)C(=C)C5O)C(=O)O)CO)OS(=O)(=O)O)OS(=O)(=O)O

DOS

IR

Vibrations