Geometry & MOs

Info

ID:

222651

PubChem CID:

85307669

Reduced:

SSi2O7C55H98 (1)

Stoich.:

AB2C7D55E98 (1)

Weight, g/mol:

962.620476

ΔHf, kcal/mol:

-533.97

Dipole, Da:

3.18

IP(EA), eV:

 -8.79(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-hexyl-14-[(1-methoxyindol-3-yl)methyl]-7,13,19,20-tetramethyl-17-(2-methylhexyl)-8,11-bis(2-methylpropyl)-3,6,9,12,15,18,21-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclohenicos-2-yl]propanenitrile

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(C1CCC(O1)C2CCCC(O2)C(C=CCCCCCC(CC3(CC(OC3=O)C)SC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C)O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations