Geometry & MOs

Info

ID:

110176

PubChem CID:

50314432

Reduced:

F3O4N5C38H38 (1)

Stoich.:

A3B4C5D38E38 (1)

Weight, g/mol:

681.312661

ΔHf, kcal/mol:

-239.26

Dipole, Da:

5.1

IP(EA), eV:

 -8.83(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)F)C)C)F

DOS

IR

Vibrations