Geometry & MOs

Info

ID:

108988

PubChem CID:

50267206

Reduced:

F2N5O5C37H37 (1)

Stoich.:

A2B5C5D37E37 (1)

Weight, g/mol:

629.301348

ΔHf, kcal/mol:

-226.0

Dipole, Da:

5.09

IP(EA), eV:

 -8.78(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5OC)F

DOS

IR

Vibrations