Geometry & MOs

Info

ID:

114014

PubChem CID:

50467941

Reduced:

FN4O4C31H33 (1)

Stoich.:

AB4C4D31E33 (1)

Weight, g/mol:

641.337733

ΔHf, kcal/mol:

-168.37

Dipole, Da:

7.45

IP(EA), eV:

 -8.92(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations