Geometry & MOs

Info

ID:

116190

PubChem CID:

50550179

Reduced:

ClN3O3C17H21 (2)

Stoich.:

AB3C3D17E21 (2)

Weight, g/mol:

698.275024

ΔHf, kcal/mol:

-249.29

Dipole, Da:

5.86

IP(EA), eV:

 -9.14(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations