Geometry & MOs

Info

ID:

232642

PubChem CID:

87576595

Reduced:

Si2O3C38H43 (1)

Stoich.:

A2B3C38D43 (1)

Weight, g/mol:

916.441115

ΔHf, kcal/mol:

-57.69

Dipole, Da:

1.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.762494

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[(Z)-(5-oct-1-ynyl-2-oxo-1H-indol-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3CC=CC3.C1[C@@H]2[C@@H](O2)CC1O[Si](C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations