Geometry & MOs

Info

ID:

384242

PubChem CID:

134976609

Reduced:

SSi2O5C38H58 (1)

Stoich.:

AB2C5D38E58 (1)

Weight, g/mol:

412.219101

ΔHf, kcal/mol:

-150.53

Dipole, Da:

2.35

IP(EA), eV:

 -7.51(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,23-ditert-butyltetracyclo[18.4.0.04,9.012,17]tetracosa-1(20),4(9),5,7,12,14,16,21,23-nonaen-2,10,18-triyne

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC(=O)C1C[C@@H](C#C/C=C\C#C[C@@](C1(C=C)SC2=CC=CC=C2)(C)O[Si](C)(C)C(C)(C)C)OCOC

DOS

IR

Vibrations