Geometry & MOs

Info

ID:

116130

PubChem CID:

50549041

Reduced:

Cl2O5N6C30H36 (1)

Stoich.:

A2B5C6D30E36 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-202.85

Dipole, Da:

5.85

IP(EA), eV:

 -9.01(-0.8)

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-[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC4

DOS

IR

Vibrations