Geometry & MOs

Info

ID:

111317

PubChem CID:

50362261

Reduced:

O4N5C32H41 (1)

Stoich.:

A4B5C32D41 (1)

Weight, g/mol:

587.347155

ΔHf, kcal/mol:

-156.77

Dipole, Da:

2.58

IP(EA), eV:

 -8.76(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-1-[1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4)C(=O)N5CCCCC5

DOS

IR

Vibrations