Geometry & MOs

Info

ID:

117922

PubChem CID:

50620598

Reduced:

BrClO5N6C25H28 (1)

Stoich.:

ABC5D6E25F28 (1)

Weight, g/mol:

571.256147

ΔHf, kcal/mol:

-190.89

Dipole, Da:

2.43

IP(EA), eV:

 -8.82(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N)Cl)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Br)C(=O)N

DOS

IR

Vibrations