Geometry & MOs

Info

ID:

110052

PubChem CID:

50307252

Reduced:

FO4N5C36H36 (1)

Stoich.:

AB4C5D36E36 (1)

Weight, g/mol:

696.287175

ΔHf, kcal/mol:

-145.34

Dipole, Da:

10.81

IP(EA), eV:

 -8.8(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5F)C

DOS

IR

Vibrations