Geometry & MOs

Info

ID:

106812

PubChem CID:

50177150

Reduced:

ClN5O5C35H48 (1)

Stoich.:

AB5C5D35E48 (1)

Weight, g/mol:

631.409755

ΔHf, kcal/mol:

-229.09

Dipole, Da:

6.44

IP(EA), eV:

 -8.77(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-(2-ethyl-6-methylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations