Geometry & MOs

Info

ID:

117155

PubChem CID:

50593181

Reduced:

ClFN6O6C39H44 (1)

Stoich.:

ABC6D6E39F44 (1)

Weight, g/mol:

514.214697

ΔHf, kcal/mol:

-261.12

Dipole, Da:

10.47

IP(EA), eV:

 -8.05(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCC5)NC(=O)C6=CC=C(C=C6)F

DOS

IR

Vibrations