Geometry & MOs

Info

ID:

92008

PubChem CID:

49981562

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-271.3

Dipole, Da:

6.42

IP(EA), eV:

 -9.12(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-[(3-fluoro-4-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations