Geometry & MOs

Info

ID:

222952

PubChem CID:

85333457

Reduced:

ClSO4N5C38H50 (1)

Stoich.:

ABC4D5E38F50 (1)

Weight, g/mol:

707.471179

ΔHf, kcal/mol:

-185.2

Dipole, Da:

12.94

IP(EA), eV:

 -8.68(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-[[1-[5-hydroxy-2-(7-methoxy-7-oxoheptyl)-3-oxocyclopentyl]-4-methyloct-1-en-4-yl]oxy-di(propan-2-yl)silyl]ethyl]phenyl]methyl-trimethylazanium;chloride

Drug info:

PubChemData

Smile

CN(C)C1CCCCC1NC(=O)C2CCC(C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4(CCCC4)NC(=O)C5=CC6=CC=CC=C6S5.Cl

DOS

IR

Vibrations