Geometry & MOs

Info

ID:

111393

PubChem CID:

50364759

Reduced:

N6O6C39H56 (1)

Stoich.:

A6B6C39D56 (1)

Weight, g/mol:

508.284969

ΔHf, kcal/mol:

-275.63

Dipole, Da:

6.68

IP(EA), eV:

 -8.69(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations