Geometry & MOs

Info

ID:

115888

PubChem CID:

50537566

Reduced:

Cl2N6O6C35H44 (1)

Stoich.:

A2B6C6D35E44 (1)

Weight, g/mol:

712.290674

ΔHf, kcal/mol:

-260.15

Dipole, Da:

1.7

IP(EA), eV:

 -9.05(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations