Geometry & MOs

Info

ID:

113580

PubChem CID:

50452006

Reduced:

F2O5N6C41H44 (1)

Stoich.:

A2B5C6D41E44 (1)

Weight, g/mol:

534.244247

ΔHf, kcal/mol:

-249.19

Dipole, Da:

3.39

IP(EA), eV:

 -8.81(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)NC(=O)CC5=CC=C(C=C5)F)C

DOS

IR

Vibrations