Geometry & MOs

Info

ID:

116597

PubChem CID:

50567680

Reduced:

Cl2O5N6C35H44 (1)

Stoich.:

A2B5C6D35E44 (1)

Weight, g/mol:

604.196774

ΔHf, kcal/mol:

-223.48

Dipole, Da:

6.83

IP(EA), eV:

 -8.62(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoyl-4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCCC2)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5CCCCC5

DOS

IR

Vibrations