Geometry & MOs

Info

ID:

191013

PubChem CID:

78093580

Reduced:

NSi2O6C40H53 (1)

Stoich.:

AB2C6D40E53 (1)

Weight, g/mol:

522.450892

ΔHf, kcal/mol:

-277.19

Dipole, Da:

3.63

IP(EA), eV:

 -8.86(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[4-(2-hydroxyheptyl)-5-methyl-2-oxo-1,5-diazocan-1-yl]butyl]-5-methyl-4-pentyl-1,5-diazocan-2-one

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC1C(=CC(C12C(OC(=N2)C3=CC=C(C=C3)OC)C)OC(=O)C)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C

DOS

IR

Vibrations