Geometry & MOs

Info

ID:

110616

PubChem CID:

50332606

Reduced:

ClO5N6C41H49 (1)

Stoich.:

AB5C6D41E49 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-190.56

Dipole, Da:

6.35

IP(EA), eV:

 -8.74(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)NC6=CC=CC=C6)C

DOS

IR

Vibrations