Geometry & MOs

Info

ID:

104159

PubChem CID:

50092273

Reduced:

FN3O3C21H22 (2)

Stoich.:

AB3C3D21E22 (2)

Weight, g/mol:

548.259897

ΔHf, kcal/mol:

-261.68

Dipole, Da:

16.18

IP(EA), eV:

 -8.54(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C6=CC(=CC=C6)OC)F

DOS

IR

Vibrations