Geometry & MOs

Info

ID:

111263

PubChem CID:

50360296

Reduced:

ClO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

609.308183

ΔHf, kcal/mol:

-183.61

Dipole, Da:

7.72

IP(EA), eV:

 -8.76(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-chloro-4-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C(=CC=C3)Cl)C)C(=O)NC4CCCC4

DOS

IR

Vibrations