Geometry & MOs

Info

ID:

112068

PubChem CID:

50393750

Reduced:

ClN6O6C36H49 (1)

Stoich.:

AB6C6D36E49 (1)

Weight, g/mol:

710.355861

ΔHf, kcal/mol:

-268.69

Dipole, Da:

5.53

IP(EA), eV:

 -8.98(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(2-methylpropylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCOCC4

DOS

IR

Vibrations