Geometry & MOs

Info

ID:

91025

PubChem CID:

49972863

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

593.337733

ΔHf, kcal/mol:

-235.05

Dipole, Da:

5.98

IP(EA), eV:

 -8.35(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)F)C

DOS

IR

Vibrations