Geometry & MOs

Info

ID:

49837

PubChem CID:

11533938

Reduced:

NSO4C12H15 (2)

Stoich.:

ABC4D12E15 (2)

Weight, g/mol:

538.293463

ΔHf, kcal/mol:

-292.43

Dipole, Da:

8.28

IP(EA), eV:

 -9.36(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6aR,8R,9aS)-8-[3-[(E)-2-phenylethenyl]phenyl]-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine

Drug info:

PubChemData

Smile

CCOC(=O)C(CC(CC(C#N)OC(=O)C1=CC=CC=C1)SC(=S)OCC)(C(=O)OCC)NC(=O)C

DOS

IR

Vibrations