Geometry & MOs

Info

ID:

178805

PubChem CID:

76384484

Reduced:

N4O11C49H64 (1)

Stoich.:

A4B11C49D64 (1)

Weight, g/mol:

442.192629

ΔHf, kcal/mol:

-482.46

Dipole, Da:

5.34

IP(EA), eV:

 -9.3(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-(cyanomethyl)-5-cyclohexyl-2-methyl-3-oxomorpholin-4-yl]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C(=O)OCC(=C)C2=C3CCCCC3=C(C=C2)C4=C5CCCCC5=C(C=C4)C(=O)COC(=O)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations