Geometry & MOs

Info

ID:

107195

PubChem CID:

50194901

Reduced:

FO4N5C34H44 (1)

Stoich.:

AB4C5D34E44 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-208.43

Dipole, Da:

5.59

IP(EA), eV:

 -8.89(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5F)C

DOS

IR

Vibrations