Geometry & MOs

Info

ID:

398650

PubChem CID:

135034566

Reduced:

S2H8C11 (3)

Stoich.:

A2B8C11 (3)

Weight, g/mol:

378.219495

ΔHf, kcal/mol:

134.66

Dipole, Da:

4.42

IP(EA), eV:

 -8.09(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,7S,9S,11R,12S,13S)-12,16-dimethyl-17-(3-methylbut-2-enyl)-8-methylidene-3-oxo-2-oxapentacyclo[11.4.0.01,5.07,12.09,11]heptadeca-4,15-diene-4-carbaldehyde

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1C2=CC3=C4C(=C5C(=C3S2)C=C(S5)C6=CC=CC=C6SC)C=C(S4)C7=CC=CC=C7SC

DOS

IR

Vibrations