Geometry & MOs

Info

ID:

108282

PubChem CID:

50239778

Reduced:

ClO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

629.301348

ΔHf, kcal/mol:

-175.72

Dipole, Da:

10.01

IP(EA), eV:

 -8.73(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(5-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=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)C(=O)N)Cl

DOS

IR

Vibrations