Geometry & MOs

Info

ID:

117224

PubChem CID:

50595392

Reduced:

ClN3O3C19H25 (2)

Stoich.:

AB3C3D19E25 (2)

Weight, g/mol:

754.337624

ΔHf, kcal/mol:

-261.79

Dipole, Da:

10.18

IP(EA), eV:

 -9.09(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCOCC2)Cl)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCCC5

DOS

IR

Vibrations