Geometry & MOs

Info

ID:

116260

PubChem CID:

50553425

Reduced:

Cl2O5N6C36H46 (1)

Stoich.:

A2B5C6D36E46 (1)

Weight, g/mol:

726.306324

ΔHf, kcal/mol:

-224.69

Dipole, Da:

10.47

IP(EA), eV:

 -8.87(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCC2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCCC5

DOS

IR

Vibrations