Geometry & MOs

Info

ID:

110890

PubChem CID:

50343448

Reduced:

O5N6C40H56 (1)

Stoich.:

A5B6C40D56 (1)

Weight, g/mol:

519.284555

ΔHf, kcal/mol:

-240.12

Dipole, Da:

5.45

IP(EA), eV:

 -8.76(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-carbamoyl-2-methylphenyl)-1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC=C4C(=O)NC5CCCCC5C)C)C

DOS

IR

Vibrations