Geometry & MOs

Info

ID:

105732

PubChem CID:

50139309

Reduced:

ClN6O6C37H49 (1)

Stoich.:

AB6C6D37E49 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-259.0

Dipole, Da:

10.76

IP(EA), eV:

 -8.75(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCOCC5)C

DOS

IR

Vibrations