Geometry & MOs

Info

ID:

386617

PubChem CID:

134982357

Reduced:

NSO4C26H31 (1)

Stoich.:

ABC4D26E31 (1)

Weight, g/mol:

498.425693

ΔHf, kcal/mol:

-109.63

Dipole, Da:

5.45

IP(EA), eV:

 -8.82(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,3E,4S)-3-[(2E)-2-[(1R,3aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]ethylidene]-4-methylcyclohexyl]oxy-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C(=C(CC3(C2)C)COC)COC)C4=CC=CC=C4

DOS

IR

Vibrations