Geometry & MOs

Info

ID:

112479

PubChem CID:

50409128

Reduced:

FO4N5C28H36 (1)

Stoich.:

AB4C5D28E36 (1)

Weight, g/mol:

571.256147

ΔHf, kcal/mol:

-205.22

Dipole, Da:

4.96

IP(EA), eV:

 -8.99(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-chloro-2-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)F)C

DOS

IR

Vibrations