Geometry & MOs

Info

ID:

96416

PubChem CID:

50020783

Reduced:

FO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

621.251811

ΔHf, kcal/mol:

-227.37

Dipole, Da:

2.54

IP(EA), eV:

 -8.56(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)C)NC(=O)C4=CC=CC=C4F

DOS

IR

Vibrations