Geometry & MOs

Info

ID:	44050
PubChem CID:	10500615
Reduced:	SO3H22C24 (1)
Stoich.:	AB3C22D24 (1)
Weight, g/mol:	390.240624
ΔH_f, kcal/mol:	-37.43
Dipole, Da:	5.14
IP(EA), eV:	-9.29(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(7R,8S)-7-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]-1,4-dioxaspiro[4.4]nonan-8-yl] 2-oxoacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2[C@@H]([C@H]2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations