Geometry & MOs

Info

ID:

116537

PubChem CID:

50564709

Reduced:

ClFN5O5C33H35 (1)

Stoich.:

ABC5D5E33F35 (1)

Weight, g/mol:

712.290674

ΔHf, kcal/mol:

-198.99

Dipole, Da:

5.8

IP(EA), eV:

 -8.6(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCOCC2)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations