Geometry & MOs

Info

ID:

116605

PubChem CID:

50567978

Reduced:

ClO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-214.66

Dipole, Da:

6.63

IP(EA), eV:

 -8.92(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=CC=C1C(=O)N2CCCCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC

DOS

IR

Vibrations