Geometry & MOs

Info

ID:

219554

PubChem CID:

85149181

Reduced:

SN2O5H32C33 (1)

Stoich.:

AB2C5D32E33 (1)

Weight, g/mol:

568.340004

ΔHf, kcal/mol:

-104.64

Dipole, Da:

6.22

IP(EA), eV:

 -9.47(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6'-but-2-en-2-yl-7,9-dihydroxy-5',6,14,16-tetramethyl-3-oxospiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-10-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(C=CS(=O)(=O)C2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC4=CC=CC=C4

DOS

IR

Vibrations