Geometry & MOs

Info

ID:

111648

PubChem CID:

50376485

Reduced:

ClN6O6C39H47 (1)

Stoich.:

AB6C6D39E47 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-229.47

Dipole, Da:

4.77

IP(EA), eV:

 -8.71(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-6-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations