Geometry & MOs

Info

ID:

111391

PubChem CID:

50364652

Reduced:

N3O3C19H27 (2)

Stoich.:

A3B3C19D27 (2)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-251.92

Dipole, Da:

7.85

IP(EA), eV:

 -8.8(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(diethylcarbamoyl)-2-methylphenyl]-1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCC(C4)C)OC

DOS

IR

Vibrations