Geometry & MOs

Info

ID:

95788

PubChem CID:

50014706

Reduced:

ClN6O6C34H45 (1)

Stoich.:

AB6C6D34E45 (1)

Weight, g/mol:

549.331505

ΔHf, kcal/mol:

-253.62

Dipole, Da:

1.4

IP(EA), eV:

 -9.02(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations