Geometry & MOs

Info

ID:

115404

PubChem CID:

50521884

Reduced:

Cl2N6O6C33H42 (1)

Stoich.:

A2B6C6D33E42 (1)

Weight, g/mol:

686.275024

ΔHf, kcal/mol:

-256.44

Dipole, Da:

5.39

IP(EA), eV:

 -9.05(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl)Cl

DOS

IR

Vibrations