Geometry & MOs

Info

ID:

111144

PubChem CID:

50353894

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

641.337733

ΔHf, kcal/mol:

-269.5

Dipole, Da:

11.96

IP(EA), eV:

 -8.55(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(2-methylbenzoyl)amino]phenyl]-1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N5CCCCC5

DOS

IR

Vibrations