Geometry & MOs

Info

ID:

111425

PubChem CID:

50366153

Reduced:

ClN6O6C33H43 (1)

Stoich.:

AB6C6D33E43 (1)

Weight, g/mol:

680.308911

ΔHf, kcal/mol:

-249.2

Dipole, Da:

5.63

IP(EA), eV:

 -8.86(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(cyclohexanecarbonylamino)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCOCC4

DOS

IR

Vibrations