Geometry & MOs

Info

ID:

111154

PubChem CID:

50354543

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

579.322083

ΔHf, kcal/mol:

-223.74

Dipole, Da:

8.88

IP(EA), eV:

 -8.87(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCCCC4

DOS

IR

Vibrations