Geometry & MOs

Info

ID:

218862

PubChem CID:

85090078

Reduced:

SO3N4C29H34 (1)

Stoich.:

AB3C4D29E34 (1)

Weight, g/mol:

518.29134

ΔHf, kcal/mol:

-52.27

Dipole, Da:

9.57

IP(EA), eV:

 -8.61(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[8-(2,2-dimethylbutanoyloxy)-6-(2-hydroxyethylsulfinyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC2=C(C=C1)OC3(CCN(CC3)C4CCC5=C(C4)C=CC(=C5)C#N)C=C2N6CCCC6

DOS

IR

Vibrations