Geometry & MOs

Info

ID:

430046

PubChem CID:

135170103

Reduced:

SO11H22C26 (1)

Stoich.:

AB11C22D26 (1)

Weight, g/mol:

480.072633

ΔHf, kcal/mol:

-257.98

Dipole, Da:

11.84

IP(EA), eV:

 -9.9(-2.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-hydroxy-2-(4-oxoadamantane-1-carbonyl)oxy-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-triene-9-carbonyl]oxyethanesulfonic acid

Drug info:

PubChemData

Smile

C1CC2CC(C1)C(=O)C(C2)CCC(=O)OC3=C4C(=C5C(=C3OC5=O)O4)C(=O)OC6=CC=C(C=C6)S(=O)(=O)O

DOS

IR

Vibrations