Geometry & MOs

Info

ID:

103693

PubChem CID:

50072306

Reduced:

ClFO3N4C29H30 (1)

Stoich.:

ABC3D4E29F30 (1)

Weight, g/mol:

546.264234

ΔHf, kcal/mol:

-131.65

Dipole, Da:

6.44

IP(EA), eV:

 -8.56(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4Cl)F

DOS

IR

Vibrations