Geometry & MOs

Info

ID:

32327

PubChem CID:

6436535

Reduced:

NSO3C12H14 (2)

Stoich.:

ABC3D12E14 (2)

Weight, g/mol:

350.172939

ΔHf, kcal/mol:

-186.76

Dipole, Da:

6.52

IP(EA), eV:

 -8.65(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(6Z,10E)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 3-hydroxy-2-methylpropanoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)C.C(=C\C(=O)O)\C(=O)O

DOS

IR

Vibrations