Geometry & MOs

Info

ID:

113287

PubChem CID:

50438458

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

545.243833

ΔHf, kcal/mol:

-232.86

Dipole, Da:

5.62

IP(EA), eV:

 -8.77(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=CC=C4)NC(=O)C(C)C)C

DOS

IR

Vibrations