Geometry & MOs

Info

ID:

120561

PubChem CID:

50734305

Reduced:

ClO5N6C36H47 (1)

Stoich.:

AB5C6D36E47 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-219.74

Dipole, Da:

7.85

IP(EA), eV:

 -8.74(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(diethylcarbamoyl)phenyl]-1-[1-[2-oxo-2-[2-(propylcarbamoyl)anilino]ethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC=C4C(=O)N5CCCC(C5)C

DOS

IR

Vibrations