Geometry & MOs

Info

ID:

115755

PubChem CID:

50532984

Reduced:

ClN6O6C34H37 (1)

Stoich.:

AB6C6D34E37 (1)

Weight, g/mol:

553.245582

ΔHf, kcal/mol:

-201.13

Dipole, Da:

8.94

IP(EA), eV:

 -8.31(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[2-(3-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC(=C(C=C5)Cl)C(=O)N

DOS

IR

Vibrations