Geometry & MOs

Info

ID:

106994

PubChem CID:

50185333

Reduced:

FO5N6C38H53 (1)

Stoich.:

AB5C6D38E53 (1)

Weight, g/mol:

581.301348

ΔHf, kcal/mol:

-281.08

Dipole, Da:

11.37

IP(EA), eV:

 -8.89(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N4CCC(CC4)C)C

DOS

IR

Vibrations