Geometry & MOs

Info

ID:

111051

PubChem CID:

50350157

Reduced:

O4N5C29H37 (1)

Stoich.:

A4B5C29D37 (1)

Weight, g/mol:

616.337319

ΔHf, kcal/mol:

-150.71

Dipole, Da:

4.69

IP(EA), eV:

 -8.85(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3)C(=O)N4CCCCC4

DOS

IR

Vibrations