Geometry & MOs

Info

ID:

119596

PubChem CID:

50692365

Reduced:

ClN6O6C41H51 (1)

Stoich.:

AB6C6D41E51 (1)

Weight, g/mol:

607.292532

ΔHf, kcal/mol:

-235.68

Dipole, Da:

10.66

IP(EA), eV:

 -8.3(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)Cl)OC

DOS

IR

Vibrations