Geometry & MOs

Info

ID:

214615

PubChem CID:

85083281

Reduced:

SSiO5C31H46 (1)

Stoich.:

ABC5D31E46 (1)

Weight, g/mol:

558.284518

ΔHf, kcal/mol:

-237.63

Dipole, Da:

8.23

IP(EA), eV:

 -8.9(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

magnesium;methyl 3-(11,16-diethyl-12,17,21,26-tetramethyl-23,24-diaza-7,25-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10,12,14,16,18(24),19-decaen-22-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1CC=C(C1C#CC(C2CCCCC2)OC3CCCCO3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations