Geometry & MOs

Info

ID:

116654

PubChem CID:

50570481

Reduced:

Cl2N6O6C29H34 (1)

Stoich.:

A2B6C6D29E34 (1)

Weight, g/mol:

742.360946

ΔHf, kcal/mol:

-232.09

Dipole, Da:

3.37

IP(EA), eV:

 -9.1(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[4-methyl-3-[(3-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCOCC2)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations