Geometry & MOs

Info

ID:

101085

PubChem CID:

50064342

Reduced:

FO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

670.327897

ΔHf, kcal/mol:

-185.36

Dipole, Da:

8.52

IP(EA), eV:

 -8.62(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations