Geometry & MOs

Info

ID:

110674

PubChem CID:

50335526

Reduced:

FO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-176.96

Dipole, Da:

4.5

IP(EA), eV:

 -8.8(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)F)C)C

DOS

IR

Vibrations