Geometry & MOs

Info

ID:

115059

PubChem CID:

50507133

Reduced:

ClFO5N6C33H42 (1)

Stoich.:

ABC5D6E33F42 (1)

Weight, g/mol:

681.312661

ΔHf, kcal/mol:

-251.64

Dipole, Da:

12.44

IP(EA), eV:

 -8.71(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N(C)C)F

DOS

IR

Vibrations