Geometry & MOs

Info

ID:

116309

PubChem CID:

50556308

Reduced:

ClFO5N6C35H38 (1)

Stoich.:

ABC5D6E35F38 (1)

Weight, g/mol:

625.303097

ΔHf, kcal/mol:

-215.79

Dipole, Da:

15.18

IP(EA), eV:

 -8.68(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-(4-ethoxyanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)F)Cl

DOS

IR

Vibrations