Geometry & MOs

Info

ID:

111810

PubChem CID:

50381979

Reduced:

N5O6C36H43 (1)

Stoich.:

A5B6C36D43 (1)

Weight, g/mol:

553.270047

ΔHf, kcal/mol:

-200.06

Dipole, Da:

8.35

IP(EA), eV:

 -8.89(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-acetamido-2-fluorophenyl)-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCOCC4)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations