Geometry & MOs

Info

ID:

95609

PubChem CID:

50010661

Reduced:

FO4N5C32H36 (1)

Stoich.:

AB4C5D32E36 (1)

Weight, g/mol:

581.276883

ΔHf, kcal/mol:

-166.09

Dipole, Da:

11.2

IP(EA), eV:

 -8.6(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(3-methylpiperidine-1-carbonyl)phenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations