Geometry & MOs

Info

ID:

109292

PubChem CID:

50279462

Reduced:

FO4N5C37H38 (1)

Stoich.:

AB4C5D37E38 (1)

Weight, g/mol:

696.287175

ΔHf, kcal/mol:

-152.27

Dipole, Da:

13.86

IP(EA), eV:

 -8.42(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=C(C=C5)F)C)C

DOS

IR

Vibrations