Geometry & MOs

Info

ID:

106811

PubChem CID:

50177149

Reduced:

ClO4N5C35H48 (1)

Stoich.:

AB4C5D35E48 (1)

Weight, g/mol:

653.334397

ΔHf, kcal/mol:

-200.45

Dipole, Da:

5.76

IP(EA), eV:

 -8.82(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-chloro-2-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations