Geometry & MOs

Info

ID:

119225

PubChem CID:

50674553

Reduced:

Cl2N6O6C33H42 (1)

Stoich.:

A2B6C6D33E42 (1)

Weight, g/mol:

548.175724

ΔHf, kcal/mol:

-260.13

Dipole, Da:

4.85

IP(EA), eV:

 -8.73(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl)Cl

DOS

IR

Vibrations