Geometry & MOs

Info

ID:

118741

PubChem CID:

50657124

Reduced:

ClN6O7C36H47 (1)

Stoich.:

AB6C7D36E47 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-284.85

Dipole, Da:

4.43

IP(EA), eV:

 -9.08(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-[2-methyl-6-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)OC

DOS

IR

Vibrations