Geometry & MOs

Info

ID:

169329

PubChem CID:

75090001

Reduced:

O2S6C25H30 (1)

Stoich.:

A2B6C25D30 (1)

Weight, g/mol:

564.218175

ΔHf, kcal/mol:

-5.01

Dipole, Da:

1.78

IP(EA), eV:

 -7.87(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2',6,9,11'-tetramethyl-6'-methylidene-2,7,7'-trioxo-4-sulfanylspiro[4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-2'-yl) acetate

Drug info:

PubChemData

Smile

CCCCCSC1=C(SC(=C2SC3=C(S2)C(=O)C4C5CC(C4C3=O)C=C5)S1)SCCCCC

DOS

IR

Vibrations