Geometry & MOs

Info

ID:

116682

PubChem CID:

50571755

Reduced:

ClN3O3C19H22 (2)

Stoich.:

AB3C3D19E22 (2)

Weight, g/mol:

726.306324

ΔHf, kcal/mol:

-234.35

Dipole, Da:

5.22

IP(EA), eV:

 -8.74(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations