Geometry & MOs

Info

ID:

107000

PubChem CID:

50185357

Reduced:

FN5O5C31H40 (1)

Stoich.:

AB5C5D31E40 (1)

Weight, g/mol:

581.301348

ΔHf, kcal/mol:

-241.63

Dipole, Da:

4.58

IP(EA), eV:

 -9.14(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-fluoro-4-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

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)F)C

DOS

IR

Vibrations