Geometry & MOs

Info

ID:

116583

PubChem CID:

50566890

Reduced:

ClFN6O6C38H46 (1)

Stoich.:

ABC6D6E38F46 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-278.4

Dipole, Da:

8.51

IP(EA), eV:

 -8.83(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)OC)F)Cl

DOS

IR

Vibrations