Geometry & MOs

Info

ID:

104114

PubChem CID:

50091710

Reduced:

FN5O5C36H36 (1)

Stoich.:

AB5C5D36E36 (1)

Weight, g/mol:

550.239162

ΔHf, kcal/mol:

-174.69

Dipole, Da:

7.34

IP(EA), eV:

 -8.73(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations