Geometry & MOs

Info

ID:

120286

PubChem CID:

50721395

Reduced:

ClN6O6C36H41 (1)

Stoich.:

AB6C6D36E41 (1)

Weight, g/mol:

686.298346

ΔHf, kcal/mol:

-206.19

Dipole, Da:

6.36

IP(EA), eV:

 -8.91(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)Cl)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations