Geometry & MOs

Info

ID:

113568

PubChem CID:

50451525

Reduced:

F2O5N6C43H46 (1)

Stoich.:

A2B5C6D43E46 (1)

Weight, g/mol:

534.244247

ΔHf, kcal/mol:

-247.47

Dipole, Da:

5.16

IP(EA), eV:

 -8.52(-0.64)

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-ethylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=C(C=C5)F)C)NC(=O)C6=CC(=CC=C6)F

DOS

IR

Vibrations