Geometry & MOs

Info

ID:

117390

PubChem CID:

50601395

Reduced:

ClN6O6C35H47 (1)

Stoich.:

AB6C6D35E47 (1)

Weight, g/mol:

712.290674

ΔHf, kcal/mol:

-264.47

Dipole, Da:

10.54

IP(EA), eV:

 -8.99(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC(C)C)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations