Geometry & MOs

Info

ID:

115999

PubChem CID:

50542622

Reduced:

Cl2O5N6C34H44 (1)

Stoich.:

A2B5C6D34E44 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-234.47

Dipole, Da:

11.65

IP(EA), eV:

 -8.81(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCCC4

DOS

IR

Vibrations